#------------------------------------------------------------------------------ #$Date: 2020-10-23 07:34:41 +0300 (Fri, 23 Oct 2020) $ #$Revision: 258572 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/22/2022263.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_2022263 _cell_angle_alpha 90.000 _cell_angle_beta 107.493 _cell_angle_gamma 90.000 _cell_length_a 9.0047 _cell_length_b 16.5608 _cell_length_c 19.4709 _exptl_crystal_F_000 1304.00 _reflns_d_resolution_high 0.8100 _cod_data_source_file sk37541sup2.hkl _cod_data_source_block 1 _shelx_title ' mo_1021_10P 1 R' _shelx_refln_list_code 4 _shelx_f_calc_maximum 340.66 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_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 2 0 0 14236.89 14442.46 168.37 o 3 0 0 18354.75 17977.89 210.64 o 4 0 0 20953.01 21240.20 233.87 o 5 0 0 1262.56 1044.60 50.63 o 6 0 0 4558.31 4638.78 122.10 o 7 0 0 992.61 968.22 55.82 o 8 0 0 9468.66 9840.06 191.23 o 9 0 0 425.36 364.18 65.67 o 10 0 0 268.16 415.48 67.24 o 1 1 0 17951.53 18455.95 161.43 o 2 1 0 30706.59 31264.51 259.47 o 3 1 0 6298.33 6162.48 76.86 o 4 1 0 2426.27 2327.93 54.21 o 5 1 0 5451.35 5173.51 70.81 o 6 1 0 6996.03 7003.11 98.05 o 7 1 0 1763.48 1791.78 57.38 o 8 1 0 769.31 824.75 45.87 o 9 1 0 1740.72 1433.81 59.01 o 10 1 0 653.60 756.67 44.86 o 0 2 0 20344.53 19305.92 322.57 o 1 2 0 2845.40 3006.44 38.26 o 2 2 0 10.63 9.81 11.53 o 3 2 0 6188.57 5922.59 71.58 o 4 2 0 21682.41 21737.78 192.82 o 5 2 0 278.30 228.81 23.77 o 6 2 0 1511.89 1458.80 52.35 o 7 2 0 2445.14 2560.27 62.13 o 8 2 0 756.62 793.86 54.53 o 9 2 0 55.42 20.43 37.78 o 10 2 0 657.89 663.25 53.16 o 1 3 0 17676.14 18307.48 148.41 o 2 3 0 19096.79 19160.51 160.93 o 3 3 0 14724.11 14639.12 141.97 o 4 3 0 5268.37 5505.03 70.96 o 5 3 0 7224.86 7214.86 92.07 o 6 3 0 6124.69 6349.08 88.58 o 7 3 0 335.04 284.21 29.63 o 8 3 0 16.32 104.74 36.95 o 9 3 0 1093.57 1074.14 40.96 o 10 3 0 322.82 312.03 70.07 o 0 4 0 64710.46 66014.09 702.21 o 1 4 0 18491.37 19258.51 173.24 o 2 4 0 12.66 15.48 17.55 o 3 4 0 7896.06 7607.09 85.62 o 4 4 0 20509.30 20643.79 181.13 o 5 4 0 1262.02 1180.71 38.82 o 6 4 0 517.83 475.80 46.49 o 7 4 0 1114.25 1078.09 45.88 o 8 4 0 1931.43 1923.66 89.00 o 9 4 0 33.43 63.91 59.28 o 10 4 0 315.04 463.58 96.59 o 1 5 0 20111.88 21029.89 184.68 o 2 5 0 18840.64 19262.29 178.13 o 3 5 0 743.64 587.89 26.28 o 4 5 0 614.80 525.03 33.26 o 5 5 0 8185.32 7986.43 98.46 o 6 5 0 5091.40 5148.75 76.80 o 8 5 0 565.75 626.54 47.97 o 9 5 0 1510.51 1452.01 65.41 o 10 5 0 661.15 839.25 78.33 o 0 6 0 21967.12 22502.91 267.08 o 1 6 0 1587.58 1492.00 46.35 o 2 6 0 706.45 522.78 25.18 o 3 6 0 24497.95 25430.10 231.89 o 4 6 0 4379.06 4344.39 68.33 o 5 6 0 7185.08 7492.91 99.78 o 6 6 0 145.30 107.41 34.44 o 7 6 0 1470.46 1489.38 60.79 o 8 6 0 1411.25 1343.56 68.73 o 9 6 0 87.16 114.08 44.75 o 10 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