#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/41/2214195.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2214195_Fobs loop_ _publ_author_name 'Slawin, Alexandra M. Z.' 'Waddell, Paul G.' 'Woollins, J. Derek' _publ_section_title ; cis-Dichloridobis(dimethoxyphenylphosphino)platinum(II) ; _journal_coeditor_code GG2016 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m2017 _journal_volume 63 _journal_year 2007 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 102.398 _cell_angle_gamma 90.000 _cell_length_a 10.9734 _cell_length_b 9.2290 _cell_length_c 20.7002 _exptl_crystal_F_000 1168.00 _reflns_d_resolution_high 0.7704 _[local]_cod_data_source_file gg2016Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' pwas16 ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 577.63 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 171248.64 146024.23 1032.34 o 4 0 0 7469.50 5630.96 159.82 o 6 0 0 1838.57 1571.57 187.74 o 8 0 0 32854.18 32170.08 711.49 o 10 0 0 45895.56 47774.23 1105.06 o 12 0 0 25799.87 25927.67 1581.16 o 3 1 0 79080.30 87402.20 630.40 o 5 1 0 20291.63 21024.98 283.70 o 7 1 0 16775.72 17006.38 314.01 o 9 1 0 24303.56 24190.61 558.26 o 11 1 0 15586.53 15037.17 433.56 o 13 1 0 9831.85 11425.58 1000.62 o 0 2 0 14815.74 14900.28 227.99 o 2 2 0 2031.20 1231.80 60.86 o 4 2 0 9117.96 9670.92 164.27 o 6 2 0 23538.62 25877.14 390.40 o 8 2 0 2752.94 2969.55 175.98 o 10 2 0 3269.24 2919.67 226.64 o 12 2 0 2132.82 2357.32 369.32 o 1 3 0 3223.00 3075.89 85.00 o 3 3 0 3537.27 3738.48 192.12 o 5 3 0 2402.19 3135.38 123.18 o 7 3 0 286.25 479.63 94.15 o 9 3 0 1565.66 1494.42 153.90 o 11 3 0 592.67 913.59 165.42 o 13 3 0 243.48 202.01 258.73 o 0 4 0 14233.80 15071.94 467.06 o 2 4 0 26633.75 26934.24 322.72 o 4 4 0 15837.55 14341.56 382.47 o 6 4 0 19033.28 19040.19 367.64 o 8 4 0 13206.36 12945.94 345.55 o 10 4 0 8912.33 8596.29 327.59 o 12 4 0 6487.48 5299.45 524.85 o 1 5 0 62978.11 60139.23 667.00 o 3 5 0 32254.94 32298.76 427.95 o 5 5 0 27512.08 26635.38 441.74 o 7 5 0 20686.16 20700.10 438.01 o 9 5 0 15027.91 14396.13 420.29 o 11 5 0 22254.31 22188.09 736.39 o 0 6 0 81904.31 82381.61 1337.88 o 2 6 0 66460.63 64555.47 1104.23 o 4 6 0 10425.10 10179.15 346.80 o 6 6 0 3536.30 3660.25 401.00 o 8 6 0 21986.65 22500.31 702.53 o 10 6 0 29128.70 29655.83 910.00 o 12 6 0 12019.31 12942.93 1489.25 o 1 7 0 21487.43 21547.00 596.25 o 3 7 0 6412.63 5920.03 293.20 o 5 7 0 5475.33 5004.00 448.15 o 7 7 0 3947.19 4050.68 323.58 o 9 7 0 6830.44 6849.19 473.28 o 11 7 0 5505.53 5211.47 1089.87 o 0 8 0 71.40 -154.20 297.42 o 2 8 0 240.15 615.53 184.87 o 4 8 0 640.55 1568.46 267.18 o 6 8 0 68.39 211.92 237.30 o 8 8 0 27.96 -158.00 227.12 o 10 8 0 274.94 258.06 239.56 o 1 9 0 8824.11 8281.25 520.00 o 3 9 0 4461.80 4536.65 491.04 o 5 9 0 2965.70 3448.17 330.19 o 7 9 0 3287.73 3592.30 570.25 o 9 9 0 3845.39 3907.20 504.63 o 0 10 0 18201.25 18417.13 1119.09 o 2 10 0 10661.75 10966.33 894.97 o 4 10 0 14217.56 13655.27 1248.51 o 6 10 0 8931.27 8242.07 1477.42 o 1 11 0 18280.12 19485.59 1346.53 o 3 11 0 16428.22 15816.96 898.17 o 5 11 0 7923.44 7179.69 758.01 o -13 1 1 5459.07 6459.40 621.53 o -11 1 1 8181.95 8047.97 371.68 o -9 1 1 22359.69 22375.33 449.48 o -7 1 1 7374.23 7582.75 191.85 o -5 1 1 9952.84 10812.02 194.38 o -3 1 1 19577.35 22547.73 233.43 o 1 1 1 42546.69 39620.64 369.86 o 3 1 1 26437.77 29876.53 272.59 o 5 1 1 1288.82 970.88 63.85 o 7 1 1 9913.72 9428.81 215.01 o 9 1 1 13009.86 13975.36 320.74 o 11 1 1 2883.82 2661.29 223.49 o 13 1 1 720.14 1101.71 1008.49 o -12 2 1 7284.98 7156.71 476.85 o -10 2 1 11701.41 10954.88 331.89 o -8 2 1 29972.11 29200.34 488.63 o -6 2 1 75963.14 78626.81 864.61 o -4 2 1 108790.79 106968.91 1011.87 o -2 2 1 34673.92 38823.06 307.87 o 0 2 1 26185.63 27233.99 258.61 o 2 2 1 17084.11 12784.66 181.91 o 4 2 1 86076.71 87641.41 775.05 o 6 2 1 61753.23 63432.42 723.07 o 8 2 1 20987.08 21518.76 414.45 o 10 2 1 6631.40 6691.55 241.01 o 12 2 1 11752.54 11421.40 658.62 o -13 3 1 4994.48 4451.73 1021.48 o -11 3 1 4637.65 4725.21 324.46 o -9 3 1 15241.26 15903.58 394.16 o -7 3 1 68287.65 69937.84 894.20 o -5 3 1 73422.20 71421.06 772.72 o -3 3 1 45471.17 46537.98 535.02 o -1 3 1 5891.29 6252.69 166.98 o 1 3 1 38321.54 38370.64 629.24 o 3 3 1 89469.81 84695.06 774.89 o 5 3 1 99651.87 99066.45 1186.97 o 7 3 1 38181.55 39594.14 591.66 o 9 3 1 10466.31 10332.67 472.86 o 11 3 1 8948.97 7916.53 412.49 o 13 3 1 15048.49 14905.83 1367.78 o -12 4 1 2890.24 2746.27 380.90 o -10 4 1 4525.38 4430.16 246.86 o -8 4 1 19484.34 19733.96 406.15 o -6 4 1 42465.56 42343.56 600.68 o -4 4 1 14083.61 13322.42 224.61 o -2 4 1 6584.54 4977.83 246.12 o 0 4 1 3095.02 3125.53 153.20 o 2 4 1 75719.35 74259.74 840.67 o 4 4 1 66428.89 68157.60 777.08 o 6 4 1 32671.58 33657.65 529.19 o 8 4 1 4351.87 4409.38 206.99 o 10 4 1 4856.45 4449.97 257.18 o 12 4 1 3334.11 3134.67 465.94 o -11 5 1 2869.30 3649.02 336.09 o -9 5 1 3438.08 3471.21 223.00 o -7 5 1 163.45 361.39 115.21 o -5 5 1 266.17 626.45 154.62 o -3 5 1 2796.47 3166.18 203.90 o -1 5 1 9155.82 8651.73 169.36 o 1 5 1 5811.54 5522.88 289.60 o 3 5 1 246.95 506.66 80.63 o 5 5 1 273.11 308.55 142.57 o 7 5 1 2295.95 2045.56 168.32 o 9 5 1 1669.72 1757.07 182.46 o 11 5 1 498.32 747.43 553.06 o -12 6 1 681.39 3067.28 909.02 o -10 6 1 1512.85 1521.74 262.42 o -8 6 1 2974.35 3698.90 547.84 o -6 6 1 6368.06 6389.70 348.16 o -4 6 1 3050.64 2771.66 243.09 o -2 6 1 2716.00 2840.31 182.60 o 0 6 1 342.44 424.28 112.49 o 2 6 1 15864.83 14421.22 304.87 o 4 6 1 8612.28 8575.88 242.43 o 6 6 1 7082.80 7250.25 262.38 o 8 6 1 805.99 1042.01 203.52 o 10 6 1 1275.45 1953.22 340.18 o -11 7 1 11044.34 10536.36 856.17 o -9 7 1 12905.34 13237.74 589.23 o -7 7 1 15322.62 15325.57 609.56 o -5 7 1 12645.60 12996.00 488.27 o -3 7 1 17790.64 17763.19 554.74 o -1 7 1 31491.46 29251.98 1252.96 o 1 7 1 30041.33 28265.74 476.00 o 3 7 1 12610.25 12743.63 432.86 o 5 7 1 19852.06 18685.09 628.48 o 7 7 1 16530.95 17007.14 636.65 o 9 7 1 10069.04 10121.05 549.83 o 11 7 1 6273.01 6007.83 812.92 o -10 8 1 6916.78 6413.97 561.21 o -8 8 1 21351.69 20973.68 852.70 o -6 8 1 29030.34 30190.88 1089.21 o -4 8 1 32069.25 30716.14 1253.46 o -2 8 1 13411.55 12944.23 448.28 o 0 8 1 13561.65 13887.94 1145.67 o 2 8 1 29823.33 28869.68 699.53 o 4 8 1 43768.55 42244.05 1027.72 o 6 8 1 20492.24 20553.57 743.79 o 8 8 1 13994.84 13719.64 676.77 o 10 8 1 5134.67 5244.20 693.91 o -9 9 1 6909.20 6903.35 609.48 o -7 9 1 19592.39 20236.28 1252.79 o -5 9 1 27787.75 26974.94 1316.33 o -3 9 1 8471.32 8953.70 447.77 o -1 9 1 5222.34 5577.75 535.29 o 1 9 1 6366.71 6865.18 826.80 o 3 9 1 24520.68 24327.24 776.28 o 5 9 1 26942.07 24688.64 796.16 o 7 9 1 11129.61 11331.30 773.44 o 9 9 1 3005.81 3229.74 478.10 o -6 10 1 6204.51 5430.52 502.34 o -4 10 1 6364.02 7324.64 1043.58 o -2 10 1 1218.42 2501.20 725.36 o 0 10 1 264.22 7.06 305.65 o 2 10 1 2545.54 3098.69 489.62 o 4 10 1 5364.31 6565.54 1116.69 o 6 10 1 5702.92 5973.42 679.59 o -5 11 1 1985.23 1582.45 442.94 o -3 11 1 90.40 207.04 271.73 o -1 11 1 207.76 -36.48 186.45 o 1 11 1 49.28 136.61 355.85 o 3 11 1 1340.65 1875.36 667.22 o 5 11 1 1095.75 1992.96 531.99 o -14 0 2 12300.14 11832.99 1047.87 o -12 0 2 42152.25 40802.61 1166.28 o -10 0 2 44914.13 43304.39 1751.41 o -8 0 2 11418.55 12899.53 530.78 o -6 0 2 21008.53 22096.62 460.61 o -4 0 2 80534.32 79576.29 1485.67 o -2 0 2 177890.45 153045.63 1230.01 o 2 0 2 1633.41 1613.65 65.28 o 4 0 2 7799.09 8754.72 173.46 o 6 0 2 39932.61 41831.95 681.00 o 8 0 2 78298.70 76881.49 1283.66 o 10 0 2 39429.31 39282.02 1583.00 o 12 0 2 10563.84 10772.73 853.68 o -13 1 2 13047.20 11984.63 822.36 o -11 1 2 12805.78 12007.66 383.16 o -9 1 2 16237.25 16013.62 381.38 o -7 1 2 12342.82 12229.13 258.84 o -5 1 2 40102.63 42226.14 486.22 o -3 1 2 91569.34 96134.77 1181.89 o -1 1 2 84680.63 74662.09 734.26 o 1 1 2 40566.38 38491.02 284.62 o 3 1 2 28321.68 28779.68 274.45 o 5 1 2 16953.36 17130.54 401.58 o 7 1 2 35704.30 35568.66 481.26 o 9 1 2 26003.82 26274.46 465.51 o 11 1 2 14128.69 14442.47 773.40 o 13 1 2 6524.37 7424.15 1287.62 o -12 2 2 793.98 969.42 173.75 o -10 2 2 228.62 317.70 102.22 o -8 2 2 4841.50 5352.31 232.80 o -6 2 2 5171.41 4108.18 143.45 o -4 2 2 1548.12 1280.97 63.22 o -2 2 2 31732.47 34644.05 669.85 o 0 2 2 41773.08 42880.83 644.81 o 2 2 2 27718.67 27224.96 292.51 o 4 2 2 15697.84 16285.29 231.95 o 6 2 2 4149.50 4328.96 168.20 o 8 2 2 701.74 1073.84 102.44 o 10 2 2 4671.10 4303.67 194.05 o 12 2 2 2292.05 2299.27 384.27 o -13 3 2 1573.26 2552.22 684.69 o -11 3 2 70.88 74.22 111.14 o -9 3 2 839.97 979.76 141.92 o -7 3 2 543.30 911.87 114.83 o -5 3 2 1480.99 1805.70 94.35 o -3 3 2 1870.57 2169.02 105.15 o -1 3 2 21318.28 25267.99 393.77 o 1 3 2 6412.02 9576.90 165.70 o 3 3 2 492.74 706.90 64.02 o 5 3 2 474.85 553.84 105.41 o 7 3 2 2683.33 2661.45 137.76 o 9 3 2 2206.82 2659.56 270.26 o 11 3 2 923.25 1186.29 322.79 o 13 3 2 107.35 946.64 426.10 o -12 4 2 4699.87 4347.81 450.47 o -10 4 2 6194.46 5878.39 278.55 o -8 4 2 8677.27 9069.93 284.18 o -6 4 2 12669.25 12705.22 275.64 o -4 4 2 24818.30 21602.48 339.84 o -2 4 2 21104.66 20590.47 419.56 o 0 4 2 35989.69 33995.90 508.58 o 2 4 2 53967.15 58806.82 698.22 o 4 4 2 22883.09 22754.69 367.86 o 6 4 2 18292.80 17550.38 363.52 o 8 4 2 9197.67 9170.64 363.17 o 10 4 2 7680.73 8055.84 305.01 o 12 4 2 7786.79 8225.67 1078.48 o -11 5 2 19468.30 19272.00 699.52 o -9 5 2 10402.89 10560.80 330.28 o -7 5 2 25771.55 26015.29 498.90 o -5 5 2 29511.62 29844.25 642.46 o -3 5 2 59035.58 58981.00 985.81 o -1 5 2 50137.98 47280.47 1120.57 o 1 5 2 69862.51 65047.49 757.44 o 3 5 2 28767.33 31192.07 473.84 o 5 5 2 35118.46 35492.41 734.62 o 7 5 2 16141.00 16263.94 400.28 o 9 5 2 23652.66 23164.11 584.15 o -12 6 2 18071.68 17156.59 1397.06 o -10 6 2 22447.62 23225.57 793.97 o -8 6 2 10415.42 10082.81 577.95 o -6 6 2 3333.32 3750.63 308.29 o -4 6 2 35155.16 36775.43 803.95 o -2 6 2 120704.52 120320.07 1822.52 o 0 6 2 79393.50 78715.77 902.38 o 2 6 2 10754.21 9419.82 237.95 o 4 6 2 703.21 873.90 108.85 o 6 6 2 12751.73 13304.39 354.82 o 8 6 2 44395.55 44794.66 961.41 o 10 6 2 26795.27 26328.05 1169.82 o -11 7 2 4937.35 5296.24 493.73 o -9 7 2 3716.75 4703.26 616.78 o -7 7 2 1929.33 2151.81 266.66 o -5 7 2 9536.82 9989.13 467.63 o -3 7 2 10654.41 10520.53 427.68 o -1 7 2 25735.61 26686.04 668.39 o 1 7 2 6329.99 6340.31 298.07 o 3 7 2 6912.63 7037.92 316.87 o 5 7 2 4328.95 4255.96 294.42 o 7 7 2 8649.58 7925.07 447.52 o 9 7 2 7297.94 7487.99 475.09 o 11 7 2 5399.14 5910.77 1099.83 o -10 8 2 99.21 294.93 256.94 o -8 8 2 6.07 -47.96 171.43 o -6 8 2 486.66 736.87 263.93 o -4 8 2 118.18 390.73 225.41 o -2 8 2 2910.19 2676.60 252.11 o 0 8 2 523.59 689.35 206.02 o 2 8 2 1537.48 1917.35 333.56 o 4 8 2 2380.27 2255.12 248.49 o 6 8 2 315.19 562.31 266.66 o 8 8 2 146.47 479.98 406.21 o 10 8 2 342.26 15.66 402.19 o -9 9 2 3243.24 3191.08 432.47 o -7 9 2 1129.26 1051.03 271.13 o -5 9 2 5324.61 5348.29 398.86 o -3 9 2 6083.97 6458.96 375.14 o -1 9 2 8531.67 8599.64 896.61 o 1 9 2 9141.67 9352.76 635.76 o 3 9 2 5384.32 5657.75 616.64 o 5 9 2 2451.90 2725.58 331.56 o 7 9 2 4802.05 5072.52 457.30 o -6 10 2 10043.56 9927.24 585.63 o -4 10 2 10647.23 9400.72 1021.50 o -2 10 2 15217.23 16431.96 829.05 o 0 10 2 17892.00 18028.84 863.09 o 2 10 2 13945.31 13665.62 769.44 o 4 10 2 15537.04 16063.77 2121.53 o 6 10 2 9373.33 8534.79 753.72 o -5 11 2 12769.41 12138.05 958.03 o -3 11 2 19216.40 20013.96 1355.07 o -1 11 2 15515.02 15298.27 960.92 o 1 11 2 10479.91 11367.97 821.05 o 3 11 2 9096.26 8952.40 692.51 o 5 11 2 8657.65 8183.21 777.32 o -13 1 3 6404.29 5610.70 334.39 o -11 1 3 8028.63 8150.26 341.65 o -9 1 3 10095.13 9855.49 290.28 o -7 1 3 4763.97 4808.92 152.65 o -5 1 3 17661.67 16781.73 264.29 o -3 1 3 24915.16 28177.22 301.28 o -1 1 3 40229.73 41180.07 300.99 o 1 1 3 1838.55 2266.28 57.59 o 3 1 3 21613.26 24693.38 345.16 o 5 1 3 16389.54 14093.38 200.89 o 7 1 3 24990.13 26105.00 380.08 o 9 1 3 7173.00 7644.65 232.33 o 11 1 3 4436.88 4727.43 686.57 o 13 1 3 1421.93 2367.16 507.22 o -12 2 3 5621.40 5345.81 309.86 o -10 2 3 18902.52 20213.48 473.55 o -8 2 3 37772.81 39640.88 621.26 o -6 2 3 66010.98 62164.01 749.38 o -4 2 3 23436.68 24491.74 683.87 o -2 2 3 7488.69 6227.63 87.07 o 0 2 3 61027.26 67206.70 517.66 o 2 2 3 167417.34 165439.56 1661.20 o 4 2 3 86386.78 87125.05 858.55 o 6 2 3 30250.41 31588.19 422.53 o 8 2 3 9805.30 9115.58 278.77 o 10 2 3 9541.93 9544.57 583.66 o 12 2 3 15283.26 15693.27 1105.30 o -13 3 3 2668.02 2596.80 406.75 o -11 3 3 12188.63 12452.86 490.46 o -9 3 3 42418.47 42603.73 742.05 o -7 3 3 70348.30 71936.80 934.23 o -5 3 3 31519.77 31413.45 430.75 o -3 3 3 17174.38 15816.37 233.30 o -1 3 3 26911.76 24017.78 369.93 o 1 3 3 157940.52 152424.55 1376.38 o 3 3 3 120029.75 123825.37 1123.56 o 5 3 3 63582.73 60823.42 703.68 o 7 3 3 10197.92 10036.93 351.82 o 9 3 3 8105.38 8324.99 363.44 o 11 3 3 12587.26 12663.57 670.81 o 13 3 3 17730.57 17080.73 1808.65 o -12 4 3 5267.21 4848.63 480.54 o -10 4 3 9107.52 8892.57 332.92 o -8 4 3 36396.91 35758.56 617.29 o -6 4 3 27161.55 27427.75 430.57 o -4 4 3 20706.47 21592.25 257.59 o -2 4 3 12079.81 11580.87 300.97 o 0 4 3 15956.75 15805.00 299.79 o 2 4 3 29818.70 27491.20 553.70 o 4 4 3 51214.80 50692.33 681.19 o 6 4 3 11578.76 11441.09 342.61 o 8 4 3 3707.76 3748.79 192.30 o 10 4 3 6871.52 6899.90 445.76 o 12 4 3 7089.31 7175.87 815.50 o -11 5 3 2835.40 3008.74 321.92 o -9 5 3 523.48 1126.67 213.75 o -7 5 3 154.25 158.01 117.44 o -5 5 3 2299.89 2327.01 241.19 o -3 5 3 7474.78 7587.83 370.76 o -1 5 3 7689.10 8082.81 212.37 o 1 5 3 1607.52 1392.99 108.24 o 3 5 3 2575.94 2509.94 144.33 o 5 5 3 401.65 356.80 158.18 o 7 5 3 4688.83 4696.79 265.48 o 9 5 3 2750.96 2824.86 402.25 o 11 5 3 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