Cycloheptatriene molybdenum tricarbonyl C10H8MoO3, S.F. Parker, ISIS Facility C (CM-1) COUNTS ERROR 24.2571,0.931598,0.0399094 24.3784,0.824923,0.0371884 24.5003,0.823057,0.0371261 24.6228,0.863933,0.0378464 24.7459,1.04473,0.0416076 24.8696,0.956078,0.0396211 24.994,0.955674,0.0395601 25.119,0.993419,0.040084 25.2446,0.987709,0.0398907 25.3708,0.92768,0.0386838 25.4976,1.08216,0.0414064 25.6251,0.969725,0.039287 25.7533,1.05716,0.0407666 25.882,0.985453,0.0392994 26.0114,0.968514,0.0388045 26.1415,0.956691,0.0385137 26.2722,0.949929,0.0382728 26.4036,1.03952,0.0399555 26.5356,1.07157,0.0403746 26.6682,1.19357,0.0425316 26.8016,1.09054,0.040556 26.9356,1.10375,0.0407393 27.0703,1.10256,0.0404861 27.2056,1.21712,0.0424164 27.3417,1.14663,0.0411773 27.4784,1.08654,0.039983 27.6158,1.11352,0.0403755 27.7538,1.14571,0.0409642 27.8926,1.15651,0.0410473 28.0321,1.1974,0.0415595 28.1722,1.08088,0.0393743 28.3131,1.22204,0.0418331 28.4547,1.19095,0.0412246 28.5969,1.16481,0.0406642 28.7399,1.29802,0.0428077 28.8836,1.30143,0.042699 29.028,1.37127,0.0436705 29.1732,1.28702,0.0422758 29.319,1.38246,0.043698 29.4656,1.33371,0.0428249 29.613,1.29357,0.0421218 29.761,1.25215,0.0413671 29.9098,1.36483,0.0430389 30.0594,1.31293,0.042097 30.2097,1.39436,0.0432188 30.3607,1.29321,0.0416135 30.5125,1.31571,0.0418301 30.6651,1.42817,0.0435548 30.8184,1.36107,0.0423129 30.9725,1.31535,0.0414658 31.1274,1.44133,0.043383 31.283,1.36928,0.042239 31.4394,1.46831,0.0435292 31.5966,1.52348,0.0442315 31.7546,1.40337,0.0424215 31.9134,1.41919,0.042536 32.0729,1.47208,0.0432721 32.2333,1.43383,0.0425449 32.3945,1.44922,0.0426333 32.5564,1.47496,0.0428802 32.7192,1.54484,0.0437823 32.8828,1.4053,0.0417091 33.0472,1.35136,0.0408024 33.2125,1.34563,0.0406865 33.3785,1.36015,0.040807 33.5454,1.40742,0.0412744 33.7132,1.34221,0.0402815 33.8817,1.39646,0.0410132 34.0511,1.38861,0.0407872 34.2214,1.31039,0.0395583 34.3925,1.34843,0.0399737 34.5645,1.36075,0.0400716 34.7373,1.48901,0.0417303 34.911,1.46469,0.0412411 35.0855,1.42545,0.0406363 35.2609,1.43993,0.0406958 35.4373,1.4176,0.0403168 35.6144,1.30575,0.038577 35.7925,1.30335,0.0384747 35.9715,1.37204,0.0393782 36.1513,1.36827,0.0391518 36.3321,1.30574,0.0382103 36.5137,1.36092,0.0388825 36.6963,1.35111,0.0387134 36.8798,1.33825,0.0383088 37.0642,1.36528,0.0385899 37.2495,1.41406,0.0390994 37.4358,1.34015,0.0380659 37.6229,1.30301,0.0375369 37.8111,1.30445,0.0373174 38.0001,1.36294,0.0380508 38.1901,1.4237,0.0387976 38.3811,1.3999,0.0384065 38.573,1.37199,0.0379257 38.7658,1.40195,0.0382136 38.9597,1.38762,0.0378856 39.1545,1.4882,0.0391169 39.3502,1.49921,0.0392233 39.547,1.3985,0.0377624 39.7447,1.4254,0.0380451 39.9434,1.43395,0.0380459 40.1432,1.4425,0.0380848 40.3439,1.45744,0.0381239 40.5456,1.33366,0.0364172 40.7483,1.44454,0.0377104 40.9521,1.41025,0.0372671 41.1568,1.46883,0.0378379 41.3626,1.39385,0.0368123 41.5694,1.44097,0.0373367 41.7773,1.48196,0.0376781 41.9862,1.52118,0.0380854 42.1961,1.54767,0.0383073 42.4071,1.51518,0.0378575 42.6191,1.56707,0.0384122 42.8322,1.55324,0.0381433 43.0464,1.6642,0.0393608 43.2616,1.71898,0.0398758 43.4779,1.67184,0.0393031 43.6953,1.72671,0.0398529 43.9138,1.69963,0.039467 44.1333,1.81501,0.0406512 44.354,1.76537,0.039986 44.5758,1.78778,0.040124 44.7987,1.72581,0.039348 45.0226,1.79382,0.0399459 45.2478,1.78275,0.0397255 45.474,1.74471,0.0391962 45.7014,1.6997,0.0385463 45.9299,1.75875,0.0391597 46.1595,1.84291,0.039954 46.3903,1.84577,0.039887 46.6223,1.90994,0.0405335 46.8554,1.87306,0.040091 47.0897,2.02106,0.0415699 47.3251,1.97604,0.0410122 47.5617,2.0163,0.0413416 47.7995,1.98084,0.0408729 48.0385,1.92576,0.0402095 48.2787,1.93236,0.0401859 48.5201,1.85914,0.039355 48.7627,1.84495,0.0390612 49.0065,1.80781,0.0385695 49.2516,1.76349,0.0380309 49.4978,1.7932,0.0382798 49.7453,1.72507,0.0374454 49.994,1.71606,0.0372594 50.244,1.61511,0.0360897 50.4952,1.58751,0.0357181 50.7477,1.54972,0.0351684 51.0015,1.46367,0.0341536 51.2565,1.43779,0.0337935 51.5127,1.41527,0.033433 51.7703,1.29897,0.0319991 52.0292,1.39046,0.0330236 52.2893,1.34702,0.0323987 52.5507,1.38531,0.0328365 52.8135,1.49695,0.0340226 53.0776,1.45774,0.0335026 53.343,1.41864,0.0330184 53.6097,1.50435,0.0339325 53.8777,1.56667,0.0345795 54.1471,1.55978,0.0344264 54.4178,1.62212,0.035046 54.6899,1.55246,0.0342558 54.9634,1.58465,0.0345514 55.2382,1.63535,0.0350434 55.5144,1.61095,0.0347254 55.792,1.5535,0.0340515 56.0709,1.50541,0.0334932 56.3513,1.49707,0.0333117 56.633,1.30229,0.031054 56.9162,1.29929,0.0309557 57.2008,1.32422,0.0311962 57.4868,1.22838,0.0300212 57.7742,1.19251,0.0295004 58.0631,1.19513,0.0295156 58.3534,1.07647,0.0279366 58.6452,1.07734,0.0278853 58.9384,1.03145,0.027243 59.2331,1.04291,0.0273261 59.5293,1.02991,0.0270866 59.8269,1.01787,0.0269289 60.126,1.04385,0.0272172 60.4267,1.06096,0.0273721 60.7288,1.14289,0.0283796 61.0324,1.12352,0.0281141 61.3376,1.26478,0.0298179 61.6443,1.29302,0.0301004 61.9525,1.33604,0.0305406 62.2623,1.29605,0.0300576 62.5736,1.31327,0.030183 62.8865,1.27016,0.0296578 63.2009,1.3189,0.0301553 63.5169,1.26696,0.0295053 63.8345,1.27746,0.0295882 64.1537,1.26491,0.029423 64.4744,1.22693,0.0289078 64.7968,1.2177,0.028744 65.1208,1.25329,0.0291077 65.4464,1.2226,0.0287155 65.7736,1.26001,0.0291274 66.1025,1.19392,0.0282913 66.433,1.32289,0.0297211 66.7652,1.2295,0.02867 67.099,1.37145,0.0302011 67.4345,1.37599,0.0302207 67.7716,1.42971,0.0307249 68.1105,1.3686,0.0300573 68.4511,1.38008,0.0301434 68.7933,1.43005,0.0306278 69.1373,1.46353,0.0309457 69.483,1.48483,0.0311259 69.8304,1.42069,0.0303922 70.1795,1.45007,0.0306716 70.5304,1.39627,0.0300525 70.8831,1.38907,0.0299417 71.2375,1.4446,0.0304882 71.5937,1.4417,0.030432 71.9517,1.41804,0.030149 72.3114,1.4813,0.0307397 72.673,1.37356,0.0295984 73.0363,1.46502,0.0304893 73.4015,1.383,0.0295796 73.7685,1.3822,0.0295058 74.1374,1.42152,0.0298875 74.5081,1.3967,0.0295732 74.8806,1.34907,0.0289965 75.255,1.33824,0.0288507 75.6313,1.32268,0.0286244 76.0094,1.28783,0.0281911 76.3895,1.26728,0.0279001 76.7714,1.22338,0.027357 77.1553,1.19747,0.027022 77.5411,1.21835,0.0271642 77.9288,1.19039,0.026793 78.3184,1.17326,0.0265628 78.71,1.17441,0.0265004 79.1035,1.17595,0.0264939 79.4991,1.22406,0.0269828 79.8966,1.18522,0.0264799 80.296,1.17752,0.0263509 80.6975,1.17754,0.0263169 81.101,1.16063,0.0260475 81.5065,1.16982,0.0261248 81.9141,1.1673,0.0260118 82.3236,1.24671,0.0268411 82.7352,1.26859,0.0270104 83.1489,1.36025,0.0279605 83.5647,1.37911,0.0281293 83.9825,1.39299,0.0281984 84.4024,1.38404,0.0280318 84.8244,1.39698,0.0281347 85.2485,1.34376,0.0275271 85.6748,1.36852,0.0277132 86.1031,1.37241,0.0277176 86.5337,1.3937,0.0278719 86.9663,1.4311,0.0281896 87.4012,1.55267,0.0292868 87.8382,1.60303,0.029711 88.2774,1.57717,0.0294312 88.7187,1.60874,0.0297004 89.1623,1.52137,0.0288368 89.6082,1.44361,0.028019 90.0562,1.37695,0.0272763 90.5065,1.31568,0.0266232 90.959,1.2983,0.0263935 91.4138,1.2722,0.0260193 91.8709,1.29542,0.0261983 92.3302,1.27008,0.0258981 92.7919,1.20432,0.0251616 93.2558,1.27757,0.0258101 93.7221,1.32258,0.0262521 94.1907,1.38542,0.0268055 94.6617,1.38609,0.0267566 95.135,1.4894,0.0276477 95.6107,1.54798,0.0281358 96.0887,1.48506,0.0275304 96.5692,1.54351,0.0280144 97.052,1.51134,0.0276439 97.5373,1.51501,0.0276413 98.0249,1.4645,0.0271505 98.5151,1.43293,0.0267464 99.0076,1.36199,0.026013 99.5027,1.31316,0.0255044 100,1.28067,0.025138 100.5,1.34022,0.0256615 101.003,1.29372,0.0251847 101.508,1.31104,0.0252864 102.015,1.29386,0.0250657 102.525,1.2513,0.024629 103.038,1.27457,0.0248174 103.553,1.26752,0.0246969 104.071,1.24878,0.024463 104.591,1.23575,0.0243304 105.114,1.24884,0.0244463 105.64,1.18454,0.0237632 106.168,1.18113,0.0237019 106.699,1.18488,0.0237002 107.232,1.12026,0.0230112 107.768,1.11002,0.0228627 108.307,1.11563,0.0228985 108.849,1.10481,0.0227688 109.393,1.13577,0.0230217 109.94,1.24814,0.0241129 110.49,1.3733,0.0252504 111.042,1.51529,0.026507 111.597,1.69459,0.0280127 112.155,1.81472,0.0289564 112.716,1.89286,0.0295563 113.28,1.98616,0.0302721 113.846,1.97561,0.0301563 114.415,1.8749,0.0293614 114.987,1.88607,0.0294172 115.562,1.86435,0.0291976 116.14,1.69955,0.0278825 116.721,1.65134,0.0274671 117.305,1.64455,0.0273848 117.891,1.67254,0.0275828 118.481,1.6666,0.0275481 119.073,1.60471,0.0270103 119.668,1.59027,0.0268711 120.267,1.52833,0.0263244 120.868,1.50639,0.026132 121.472,1.5297,0.0263034 122.08,1.51741,0.0261721 122.69,1.60087,0.0268942 123.304,1.52083,0.0261855 123.92,1.51311,0.0261249 124.54,1.45702,0.0256245 125.162,1.36958,0.024857 125.788,1.25455,0.0237602 126.417,1.06636,0.0219078 127.049,0.924013,0.0203688 127.684,0.805563,0.019 128.323,0.72929,0.0180495 128.964,0.642402,0.016951 129.609,0.639356,0.0168898 130.257,0.58495,0.0161601 130.909,0.556082,0.0157707 131.563,0.570319,0.0159468 132.221,0.544596,0.0155796 132.882,0.562104,0.0158126 133.546,0.576242,0.0160028 134.214,0.556891,0.0157263 134.885,0.538223,0.0154674 135.56,0.521218,0.0151965 136.238,0.57473,0.0159462 136.919,0.547923,0.0155701 137.603,0.565617,0.0158142 138.291,0.621095,0.0165446 138.983,0.566138,0.0157671 139.678,0.589684,0.0161149 140.376,0.559008,0.0156827 141.078,0.590124,0.0161024 141.783,0.585896,0.0160436 142.492,0.577337,0.015904 143.205,0.600454,0.0162161 143.921,0.593022,0.0161149 144.64,0.594601,0.0161262 145.364,0.565385,0.0157252 146.09,0.605131,0.0162513 146.821,0.558495,0.0156147 147.555,0.558032,0.0155891 148.293,0.572884,0.0157961 149.034,0.61974,0.0164171 149.779,0.581701,0.0158824 150.528,0.589519,0.0160048 151.281,0.550307,0.0154361 152.037,0.542973,0.0153399 152.797,0.5879,0.0159306 153.561,0.59237,0.015976 154.329,0.549405,0.0153864 155.101,0.544614,0.0153024 155.876,0.602369,0.0160678 156.656,0.598998,0.0160137 157.439,0.580278,0.015753 158.226,0.574092,0.0156909 159.017,0.573133,0.0156479 159.812,0.592284,0.0158911 160.612,0.56554,0.0155363 161.415,0.581294,0.0157263 162.222,0.590916,0.0158523 163.033,0.59358,0.0158865 163.848,0.619318,0.0162218 164.667,0.634505,0.0163974 165.491,0.636191,0.0164286 166.318,0.621816,0.0162287 167.15,0.634251,0.0163757 167.985,0.640231,0.0164655 168.825,0.672331,0.0168671 169.669,0.714519,0.0173658 170.518,0.790917,0.0182487 171.37,0.856903,0.0189965 172.227,0.967221,0.0201729 173.088,1.10652,0.0215697 173.954,1.31518,0.0235136 174.823,1.55633,0.0255663 175.698,1.79983,0.027461 176.576,2.121,0.0297903 177.459,2.49629,0.0323323 178.346,2.82133,0.0343533 179.238,3.1397,0.0362279 180.134,3.1935,0.0365329 181.035,3.16818,0.036363 181.94,3.09311,0.035898 182.85,2.98589,0.035236 183.764,2.82887,0.0342666 184.683,2.60527,0.0328481 185.606,2.32861,0.0310475 186.534,2.08742,0.0293891 187.467,1.69944,0.0264995 188.404,1.27308,0.0229044 189.346,1.02974,0.0205769 190.293,0.81221,0.0182487 191.244,0.708801,0.0170385 192.201,0.62095,0.0159186 193.162,0.626727,0.0159931 194.128,0.59459,0.0155658 195.098,0.570658,0.0152266 196.074,0.565886,0.0151506 197.054,0.52316,0.0145566 198.039,0.49297,0.0141076 199.029,0.539894,0.0147442 200.025,0.516112,0.0144309 201.025,0.541761,0.014763 202.03,0.516116,0.0143908 203.04,0.508381,0.0142931 204.055,0.519459,0.0144153 205.075,0.517738,0.014387 206.101,0.522623,0.0144457 207.131,0.511878,0.0142881 208.167,0.519608,0.0143767 209.208,0.558783,0.0148877 210.254,0.559988,0.0149057 211.305,0.539191,0.0146283 212.362,0.51965,0.014333 213.424,0.512123,0.014233 214.491,0.533968,0.0145257 215.563,0.556696,0.0148241 216.641,0.545091,0.0146747 217.724,0.571856,0.0150092 218.813,0.578151,0.0150981 219.907,0.552257,0.0147366 221.006,0.554951,0.014793 222.111,0.552912,0.0147716 223.222,0.532247,0.0144506 224.338,0.60294,0.0153786 225.46,0.608559,0.0154355 226.587,0.594576,0.0152435 227.72,0.557316,0.0147623 228.859,0.589912,0.0151533 230.003,0.574911,0.0149586 231.153,0.604973,0.0153266 232.309,0.60163,0.0152766 233.47,0.596503,0.0151974 234.638,0.598976,0.015222 235.811,0.602603,0.015262 236.99,0.603326,0.015279 238.175,0.595623,0.015164 239.366,0.588588,0.0150579 240.562,0.577504,0.0148944 241.765,0.61004,0.0153213 242.974,0.602883,0.0152034 244.189,0.597485,0.0151255 245.41,0.623784,0.0154503 246.637,0.664157,0.015955 247.87,0.752321,0.0169399 249.109,0.922441,0.0187644 250.355,1.19151,0.0213086 251.607,1.68608,0.0253282 252.865,2.23999,0.0292171 254.129,2.53985,0.0311325 255.4,2.31863,0.0297594 256.677,1.57973,0.0245379 257.96,1.03952,0.0198944 259.25,0.925213,0.0187556 260.546,1.14019,0.0208145 261.849,1.33256,0.022478 263.158,1.54865,0.0242443 264.474,1.48978,0.0237786 265.796,1.32384,0.022397 267.125,1.39696,0.0229995 268.461,1.49596,0.0238315 269.803,1.34334,0.0225786 271.152,0.955242,0.0190302 272.508,0.675995,0.0160068 273.871,0.614248,0.0152732 275.24,0.574857,0.0147877 276.616,0.559838,0.014593 277.999,0.592525,0.0150133 279.389,0.600573,0.0151239 280.786,0.62211,0.015404 282.19,0.646619,0.015713 283.601,0.634212,0.0155779 285.019,0.648409,0.0157534 286.444,0.661141,0.0159136 287.876,0.723091,0.0166645 289.316,0.729424,0.0167407 290.762,0.847914,0.0180626 292.216,1.0061,0.0196629 293.677,1.36578,0.0229252 295.146,1.85478,0.0267604 296.621,2.25466,0.0295323 298.104,2.17638,0.0290592 299.595,1.62501,0.0251164 301.093,1.02605,0.0199679 302.598,0.749485,0.0170887 304.111,0.677769,0.0162706 305.632,0.660227,0.0160817 307.16,0.613137,0.0155182 308.696,0.594186,0.0152953 310.239,0.57865,0.0151088 311.791,0.548637,0.0147432 313.35,0.533001,0.0145374 314.916,0.524973,0.0144317 316.491,0.519665,0.0143949 318.073,0.513343,0.0143372 319.664,0.512746,0.0143534 321.262,0.495614,0.0141261 322.868,0.521853,0.0145266 324.483,0.515283,0.0144508 326.105,0.498559,0.0142328 327.736,0.503335,0.0143145 329.374,0.481529,0.0140246 331.021,0.496869,0.0142565 332.676,0.507382,0.0144416 334.34,0.485725,0.0141499 336.011,0.460179,0.0138148 337.691,0.46159,0.0138563 339.38,0.494216,0.0143634 341.077,0.494555,0.0144007 342.782,0.469519,0.0140355 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