#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:23:16 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181014 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/94/2209491.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_2209491_Fobs loop_ _publ_author_name 'Slawin, Alexandra M. Z.' 'Woollins, J. Derek' _publ_section_title ; (1\h^5^-Cyclopentadienyl)(\m-disulfur dinitrido)(triphenylphosphino-2\kP)cobalt(II)gold(I) perchlorate ; _journal_coeditor_code EZ2007 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1658 _journal_page_last m1659 _journal_volume 62 _journal_year 2006 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 111.201 _cell_angle_gamma 90.000 _cell_length_a 14.6460 _cell_length_b 14.1860 _cell_length_c 13.3775 _exptl_crystal_F_000 1496.00 _reflns_d_resolution_high 0.8300 _cod_data_source_file ez2007Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' mini in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 493.06 _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+1/2, -z+1/2' '-x, -y, -z' 'x, -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 3 0 0 35197.28 34890.23 369.08 o 4 0 0 47570.62 46770.18 535.99 o 5 0 0 70955.66 74139.78 899.63 o 6 0 0 179268.91 177666.97 2106.19 o 7 0 0 58488.55 56155.81 874.17 o 8 0 0 626.73 905.52 136.85 o 9 0 0 49730.84 50256.90 1743.03 o 10 0 0 17962.12 18312.64 522.69 o 11 0 0 350.88 297.43 145.12 o 12 0 0 24486.42 24633.20 694.82 o 13 0 0 35692.17 37848.60 1087.93 o 14 0 0 7166.15 8162.73 464.05 o 15 0 0 4500.34 4862.10 397.63 o 16 0 0 6233.66 5755.24 874.06 o 2 1 0 5103.60 5224.56 84.19 o 3 1 0 10195.17 10517.31 113.22 o 4 1 0 3877.39 3909.76 75.90 o 5 1 0 19670.46 20553.90 231.68 o 6 1 0 656.19 825.28 70.88 o 7 1 0 7294.03 7210.34 152.34 o 8 1 0 14737.22 14799.70 253.84 o 9 1 0 2057.45 2302.33 151.18 o 10 1 0 1405.77 1268.83 118.52 o 11 1 0 1974.97 2314.09 171.68 o 12 1 0 803.94 1049.01 224.57 o 13 1 0 4531.87 4608.69 265.94 o 14 1 0 7273.43 7861.07 303.88 o 15 1 0 532.55 494.16 171.06 o 16 1 0 1184.44 1314.29 221.63 o 1 2 0 4010.77 4255.68 63.26 o 2 2 0 20269.96 21771.44 124.71 o 3 2 0 77160.87 79539.68 518.63 o 4 2 0 6143.34 5666.84 99.50 o 5 2 0 1752.33 1712.11 67.30 o 6 2 0 440.45 545.72 92.21 o 7 2 0 72.41 155.06 65.43 o 8 2 0 37246.06 37643.11 621.00 o 9 2 0 28811.05 28353.69 427.10 o 10 2 0 5157.99 5034.66 179.71 o 11 2 0 1198.09 1453.18 135.81 o 12 2 0 401.08 420.88 144.18 o 13 2 0 2016.46 1821.98 179.70 o 14 2 0 494.07 485.82 163.96 o 15 2 0 7817.74 7680.84 333.79 o 16 2 0 2622.08 2447.73 263.24 o 1 3 0 43187.42 42229.79 486.97 o 2 3 0 36244.38 36819.25 259.87 o 3 3 0 5828.19 6136.33 90.13 o 4 3 0 22503.04 21900.12 218.38 o 5 3 0 56951.18 57384.59 817.73 o 6 3 0 7184.16 6494.97 176.72 o 7 3 0 22702.09 22093.03 301.04 o 8 3 0 36905.56 36803.70 473.37 o 9 3 0 3512.62 3411.32 160.18 o 10 3 0 9271.61 9064.99 314.27 o 11 3 0 20207.56 19820.60 403.63 o 12 3 0 4261.50 4342.19 210.60 o 13 3 0 8425.53 8364.79 356.48 o 14 3 0 22906.49 23376.93 688.30 o 15 3 0 5573.01 5934.01 305.86 o 16 3 0 2750.58 2825.13 288.50 o 0 4 0 9974.02 10123.76 172.92 o 1 4 0 12790.30 12755.83 179.58 o 2 4 0 10871.23 11142.19 80.82 o 3 4 0 39137.42 39685.13 584.86 o 4 4 0 15112.63 14920.89 188.85 o 5 4 0 630.82 770.69 59.88 o 6 4 0 22276.66 23192.55 292.20 o 7 4 0 2477.03 2478.55 96.08 o 8 4 0 1280.45 1289.05 91.22 o 9 4 0 16164.63 15931.81 289.26 o 10 4 0 18571.72 18641.64 352.55 o 11 4 0 559.62 752.48 166.77 o 12 4 0 5763.28 5600.16 223.37 o 13 4 0 4101.63 4208.90 388.83 o 14 4 0 372.31 921.34 262.03 o 15 4 0 7724.01 8217.38 348.44 o 1 5 0 2618.94 2435.68 61.91 o 2 5 0 2549.30 2435.47 86.59 o 3 5 0 212.11 300.55 79.13 o 4 5 0 278.84 259.16 40.89 o 5 5 0 13945.19 14626.13 263.30 o 6 5 0 4991.41 4742.93 120.08 o 7 5 0 57.24 108.10 65.43 o 8 5 0 4369.75 3968.99 165.06 o 9 5 0 343.87 324.53 95.02 o 10 5 0 3.87 22.99 126.87 o 11 5 0 73.26 184.78 106.45 o 12 5 0 2492.07 2763.33 183.41 o 13 5 0 28.66 107.80 121.71 o 14 5 0 1939.49 1973.27 188.84 o 15 5 0 666.01 758.55 178.60 o 0 6 0 41321.98 42440.63 489.28 o 1 6 0 5994.09 5711.45 188.11 o 2 6 0 9206.80 9195.19 114.84 o 3 6 0 16531.12 16444.34 166.23 o 4 6 0 6744.58 6479.28 103.84 o 6 6 0 12284.44 12213.85 203.74 o 7 6 0 4709.08 4610.55 131.55 o 8 6 0 4460.03 4246.56 357.14 o 9 6 0 20720.40 20045.12 349.35 o 10 6 0 10451.47 9766.01 359.32 o 11 6 0 226.46 241.74 111.85 o 12 6 0 8990.18 9016.69 275.21 o 13 6 0 4816.56 4618.88 253.16 o 14 6 0 566.75 520.26 154.69 o 15 6 0 6888.78 6460.27 301.92 o 1 7 0 27736.95 28563.84 420.73 o 2 7 0 37256.14 34943.22 741.80 o 3 7 0 345.80 427.10 38.01 o 4 7 0 32811.80 31737.99 485.48 o 5 7 0 27607.73 27578.32 478.76 o 6 7 0 840.76 973.51 85.17 o 7 7 0 13662.79 14181.67 393.65 o 8 7 0 12330.35 11772.70 250.75 o 9 7 0 6165.13 5877.52 233.16 o 10 7 0 2465.62 2275.69 222.98 o 11 7 0 13925.76 13912.95 337.79 o 12 7 0 1281.35 1597.65 151.35 o 13 7 0 1672.12 2150.15 340.21 o 14 7 0 6341.33 5835.59 467.34 o 15 7 0 4491.42 4287.90 387.23 o 0 8 0 2387.76 2511.94 234.49 o 1 8 0 3602.60 3586.61 132.70 o 2 8 0 4361.27 4196.88 79.52 o 3 8 0 7043.69 6924.99 197.75 o 4 8 0 4391.19 4591.67 162.98 o 5 8 0 759.18 862.42 204.23 o 6 8 0 354.99 298.70 55.54 o 7 8 0 1669.74 1440.37 82.75 o 8 8 0 15.55 21.82 64.11 o 9 8 0 520.06 520.23 99.53 o 10 8 0 4130.40 3931.38 248.25 o 11 8 0 384.30 510.29 162.10 o 12 8 0 336.32 393.43 186.86 o 13 8 0 1059.13 982.38 216.81 o 14 8 0 2638.62 2619.12 315.04 o 1 9 0 5190.78 4901.25 192.76 o 2 9 0 4978.15 4868.00 166.01 o 3 9 0 112.79 125.10 80.27 o 4 9 0 13349.76 12971.02 298.87 o 5 9 0 13637.60 12806.22 552.89 o 6 9 0 3742.27 3832.23 340.24 o 7 9 0 1016.13 1332.82 162.83 o 8 9 0 4514.33 5016.98 318.26 o 9 9 0 2681.74 2349.30 222.23 o 10 9 0 2505.64 2417.79 241.08 o 11 9 0 2736.87 2305.57 424.06 o 12 9 0 355.92 1112.09 393.06 o 13 9 0 944.80 1242.89 381.59 o 0 10 0 31606.27 31926.63 503.73 o 1 10 0 16429.99 16119.27 214.31 o 2 10 0 98.91 154.53 114.38 o 3 10 0 23011.36 22664.15 474.61 o 4 10 0 3874.16 3571.52 184.23 o 5 10 0 16157.75 15636.46 381.50 o 6 10 0 35762.57 36168.56 1133.30 o 7 10 0 12906.40 13230.82 391.86 o 8 10 0 2906.99 2913.07 235.52 o 9 10 0 3755.86 3260.77 247.36 o 10 10 0 4696.13 4336.32 836.16 o 11 10 0 3766.60 3865.13 310.88 o 12 10 0 16037.56 16095.58 779.07 o 13 10 0 10907.16 10183.15 517.88 o 1 11 0 10378.04 10415.10 244.29 o 2 11 0 16211.40 15698.72 409.45 o 3 11 0 793.76 976.02 176.99 o 4 11 0 3853.99 3896.67 205.96 o 5 11 0 4902.76 4857.73 236.06 o 6 11 0 49.85 66.74 119.90 o 7 11 0 2123.44 2106.00 197.19 o 8 11 0 6214.72 6493.20 553.21 o 9 11 0 992.73 1222.44 231.73 o 10 11 0 1704.57 1856.41 245.29 o 11 11 0 4874.80 4709.52 322.51 o 12 11 0 720.25 841.73 256.39 o 0 12 0 756.59 753.26 252.63 o 1 12 0 92.67 11.22 78.95 o 2 12 0 2598.46 2636.07 245.11 o 3 12 0 19768.34 19739.97 785.62 o 4 12 0 5527.10 5415.29 242.29 o 5 12 0 197.96 65.92 191.03 o 6 12 0 251.89 186.57 241.16 o 7 12 0 73.90 -96.96 200.83 o 8 12 0 1254.74 1275.49 235.34 o 9 12 0 8999.66 8536.37 384.90 o 10 12 0 6786.57 7349.21 368.37 o 11 12 0 1512.87 1533.66 252.71 o 1 13 0 6687.81 6786.05 358.38 o 2 13 0 12339.67 11714.32 492.55 o 3 13 0 249.19 321.55 203.81 o 4 13 0 9085.34 9378.61 510.27 o 5 13 0 11565.56 12127.12 760.12 o 6 13 0 48.55 98.05 135.88 o 7 13 0 4276.29 4459.54 618.85 o 8 13 0 8144.35 7750.34 360.35 o 9 13 0 1247.89 1451.11 232.51 o 10 13 0 6566.68 7542.63 543.54 o 0 14 0 1690.54 2366.93 385.34 o 1 14 0 380.54 653.19 216.21 o 2 14 0 5350.30 5909.18 800.45 o 3 14 0 13995.81 14591.10 569.11 o 4 14 0 4585.42 3547.95 742.01 o 5 14 0 542.64 808.96 195.28 o 6 14 0 3749.39 3728.27 261.35 o 7 14 0 2543.98 2511.67 248.09 o 8 14 0 638.51 598.73 288.55 o 9 14 0 5439.39 5118.94 349.26 o 1 15 0 20.72 -66.45 211.39 o 2 15 0 2162.45 1924.71 298.78 o 3 15 0 3.71 431.25 353.25 o 4 15 0 686.08 1151.93 262.72 o 5 15 0 1390.77 1912.81 431.66 o 6 15 0 123.54 455.07 271.65 o 7 15 0 30.63 -130.36 162.00 o 0 16 0 8213.26 6822.01 645.82 o 1 16 0 3683.51 3363.85 373.21 o 2 16 0 1260.63 1581.71 317.82 o 3 16 0 14124.77 16014.53 1136.42 o 4 16 0 5146.91 6089.62 516.86 o 5 16 0 1437.51 2128.76 372.71 o 1 17 0 5327.19 5248.55 485.11 o -16 1 1 3029.73 3394.66 393.54 o -15 1 1 3328.01 3148.18 234.81 o -14 1 1 13396.83 14607.83 402.86 o -13 1 1 16525.09 16779.15 416.92 o -12 1 1 208.42 113.11 112.61 o -11 1 1 4100.69 3686.16 255.13 o -10 1 1 17052.27 17395.86 323.09 o -9 1 1 175.84 254.01 104.87 o -8 1 1 25537.81 26059.93 362.39 o -7 1 1 30986.06 31865.76 378.19 o -6 1 1 3109.58 3593.64 113.59 o -5 1 1 24817.29 25695.55 267.45 o -4 1 1 11037.18 11205.38 135.00 o -3 1 1 17476.95 17807.61 152.29 o -2 1 1 13111.77 13312.93 75.79 o 2 1 1 1693.90 1952.11 43.79 o 3 1 1 9241.99 9974.98 115.58 o 4 1 1 585.00 765.33 95.69 o 5 1 1 58404.64 61526.23 563.98 o 6 1 1 32681.99 32698.13 382.69 o 7 1 1 180.42 232.23 72.29 o 8 1 1 21844.53 22162.89 348.25 o 9 1 1 14479.14 14547.96 291.63 o 10 1 1 276.59 290.69 104.72 o 11 1 1 3248.58 3075.78 175.21 o 12 1 1 16108.31 16826.65 437.91 o 13 1 1 685.33 915.65 159.32 o 14 1 1 7655.72 8066.08 571.13 o 15 1 1 4506.94 5086.82 328.94 o -16 2 1 3207.45 3452.74 264.63 o -15 2 1 16864.10 17174.76 470.78 o -14 2 1 6285.37 6182.51 270.05 o -13 2 1 773.48 730.26 144.88 o -12 2 1 9348.81 9295.68 281.88 o -11 2 1 380.60 498.47 108.58 o -10 2 1 4655.74 4538.50 305.42 o -9 2 1 31043.50 31312.74 490.34 o -8 2 1 23072.83 23185.99 336.44 o -7 2 1 7144.67 7123.07 152.62 o -6 2 1 27973.28 27883.80 316.51 o -5 2 1 7701.90 7631.91 173.81 o -4 2 1 773.14 863.29 65.78 o -3 2 1 13473.34 14039.17 222.43 o -2 2 1 8778.33 9000.38 88.69 o -1 2 1 243.86 301.05 15.19 o 0 2 1 43252.97 44467.11 662.22 o 1 2 1 12900.61 12988.99 192.53 o 2 2 1 564.10 657.20 64.50 o 3 2 1 46143.50 48324.49 369.52 o 4 2 1 48778.17 50281.37 432.58 o 5 2 1 3617.38 3313.91 92.38 o 6 2 1 22965.74 23314.88 324.10 o 7 2 1 28174.81 28439.96 651.80 o 8 2 1 82.07 168.56 85.12 o 9 2 1 19634.09 19260.50 334.81 o 10 2 1 15844.82 15042.55 446.84 o 11 2 1 845.13 936.13 163.71 o 12 2 1 16853.53 16653.38 592.87 o 13 2 1 17873.18 17434.75 450.44 o 14 2 1 2822.55 2765.20 325.59 o 15 2 1 4398.18 5045.61 302.79 o -16 3 1 102.55 112.81 148.55 o -15 3 1 437.98 437.40 159.11 o -14 3 1 3748.58 4204.68 240.46 o -13 3 1 5872.68 5604.07 288.07 o -12 3 1 2199.24 2354.79 348.34 o -11 3 1 8453.60 8517.86 234.46 o -10 3 1 721.60 777.60 112.53 o -9 3 1 750.27 890.67 106.12 o -8 3 1 11783.43 11163.65 211.41 o -7 3 1 52707.53 54301.45 579.54 o -6 3 1 10892.15 11171.98 170.52 o -5 3 1 3647.21 3528.69 84.37 o -4 3 1 8440.95 8030.69 106.00 o -3 3 1 17.86 37.36 38.35 o -2 3 1 40687.91 41215.27 270.47 o -1 3 1 78538.48 81032.85 762.91 o 0 3 1 5894.51 5910.48 55.75 o 1 3 1 694.83 862.27 36.42 o 2 3 1 22934.88 23086.23 235.07 o 3 3 1 3502.99 3228.30 72.34 o 4 3 1 14553.54 14816.48 204.11 o 5 3 1 24881.41 24543.15 288.90 o 6 3 1 9679.98 9112.15 204.87 o 7 3 1 1984.47 1683.82 158.85 o 8 3 1 296.48 514.13 116.94 o 9 3 1 2579.54 2625.76 146.36 o 10 3 1 2025.93 2042.64 240.73 o 11 3 1 13705.59 13595.05 425.13 o 12 3 1 3317.72 2972.65 214.93 o 13 3 1 2834.69 2788.75 247.34 o 14 3 1 39.56 86.23 191.67 o 15 3 1 999.32 1212.00 204.83 o -16 4 1 690.17 949.22 321.98 o -15 4 1 6170.46 6268.52 327.13 o -14 4 1 30.30 764.45 742.73 o -13 4 1 3676.72 3608.70 309.45 o -12 4 1 7106.48 7393.35 242.00 o -11 4 1 750.93 964.81 120.87 o -10 4 1 1288.85 1248.57 157.26 o -9 4 1 15077.56 15096.05 282.85 o -8 4 1 6056.33 5897.55 158.28 o -7 4 1 14457.85 14637.37 319.94 o -6 4 1 40377.13 40987.21 427.61 o -5 4 1 23259.47 23308.67 242.72 o -4 4 1 183.75 139.42 78.21 o -3 4 1 6458.62 6507.10 50.11 o -2 4 1 12635.86 12387.46 174.16 o -1 4 1 472.45 453.99 26.85 o 0 4 1 73848.98 76100.16 994.65 o 1 4 1 7733.24 7575.30 94.05 o 2 4 1 1540.76 1430.72 71.38 o 3 4 1 22255.67 23540.62 449.27 o 4 4 1 35719.04 37753.39 695.94 o 5 4 1 3957.81 3691.57 132.95 o 6 4 1 5777.94 5538.87 209.99 o 7 4 1 18894.96 18374.11 285.06 o 8 4 1 1619.68 1734.29 210.10 o 9 4 1 3338.75 3307.68 149.43 o 10 4 1 2120.88 2287.08 207.81 o 11 4 1 2661.80 2868.75 344.79 o 12 4 1 2249.32 2171.53 176.27 o 13 4 1 10166.69 10469.24 607.45 o 14 4 1 4070.88 3685.72 247.60 o 15 4 1 214.82 322.95 165.55 o -16 5 1 12078.96 13238.92 451.26 o -15 5 1 135.71 282.18 201.21 o -14 5 1 9596.82 9934.58 378.77 o -13 5 1 8132.48 7897.46 282.61 o -12 5 1 9.97 4.55 149.18 o -11 5 1 27671.00 27783.74 735.20 o -10 5 1 48193.86 48469.19 673.38 o -9 5 1 8421.03 8277.60 201.65 o -8 5 1 7836.41 7414.85 220.80 o -7 5 1 32097.97 32143.89 564.07 o -6 5 1 19.66 91.49 92.89 o -5 5 1 58170.33 58715.97 494.89 o -4 5 1 85628.29 85336.86 556.90 o -3 5 1 28724.90 28688.46 366.27 o -2 5 1 15701.38 15818.56 222.07 o -1 5 1 85251.81 86331.74 1417.73 o 0 5 1 1554.64 1377.75 111.95 o 1 5 1 16573.54 16439.45 175.64 o 2 5 1 121952.05 119976.03 859.16 o 3 5 1 38057.31 38448.18 420.32 o 4 5 1 2068.58 2155.49 109.30 o 5 5 1 27287.06 26804.59 702.98 o 6 5 1 6937.57 6853.40 204.25 o 7 5 1 19048.09 18411.83 360.50 o 8 5 1 76919.08 78217.53 917.43 o 9 5 1 36285.41 36301.94 631.78 o 10 5 1 631.99 800.20 132.49 o 11 5 1 8912.04 8781.99 556.32 o 12 5 1 6019.31 5763.49 236.86 o 13 5 1 2540.84 2336.14 191.29 o 14 5 1 24478.75 24782.32 598.94 o 15 5 1 13247.86 13408.28 454.94 o -15 6 1 1089.44 1236.42 229.31 o -14 6 1 873.43 1427.07 440.12 o -13 6 1 2820.21 2993.43 189.23 o -12 6 1 14855.12 13806.99 452.79 o -11 6 1 5116.21 5103.91 190.79 o -10 6 1 3674.01 3431.17 211.62 o -9 6 1 6402.03 6030.56 185.59 o -8 6 1 656.25 623.05 87.39 o -7 6 1 819.44 729.92 81.06 o -6 6 1 24360.05 24504.38 280.18 o -4 6 1 625.07 683.60 83.72 o -3 6 1 15442.53 14859.97 361.48 o -2 6 1 4400.14 4511.18 125.46 o -1 6 1 11187.09 11759.96 119.15 o 0 6 1 12096.44 12060.87 369.05 o 1 6 1 30006.78 29261.89 276.86 o 2 6 1 6542.92 6351.43 187.94 o 3 6 1 5743.54 5450.64 108.81 o 4 6 1 5541.59 5414.04 110.95 o 5 6 1 508.66 501.27 62.55 o 6 6 1 11587.74 11599.25 316.78 o 7 6 1 14857.81 14403.87 411.44 o 8 6 1 3943.16 3791.26 147.04 o 9 6 1 5500.01 5192.75 184.84 o 10 6 1 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