#------------------------------------------------------------------------------ #$Date: 2016-12-02 04:09:34 +0200 (Fri, 02 Dec 2016) $ #$Revision: 188820 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/80/2108018.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_2108018 _audit_creation_date 15-04-24 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 117.68(3) _cell_angle_gamma 90 _cell_length_a 14.166(5) _cell_length_b 4.5982(9) _cell_length_c 14.326(4) _cod_data_source_file fx5004JB0005sup6.hkl _cod_data_source_block JB0005 loop_ _symmetry_equiv_pos_as_xyz x,y,z x+1/2,-y,z+1/2 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma _refln_observed_status _refln_refinement_weight 11 0 -17 22.91 39.63 25.15 < 0.0000E+00 10 0 -16 46.50 72.93 32.47 < 0.0000E+00 12 0 -16 2150.56 1815.31 65.10 o 0.1471E-04 14 0 -16 21.57 22.63 25.92 < 0.0000E+00 10 1 -16 19.88 10.82 17.09 < 0.0000E+00 11 1 -16 516.58 448.18 30.00 o 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15790.75 683.38 o 0.1690E-06 -8 2 5 6871.56 6684.51 280.36 o 0.7823E-06 -7 2 5 812.44 792.65 27.20 o 0.1247E-03 -6 2 5 1573.89 1667.46 40.22 o 0.2849E-04 -5 2 5 2834.79 2654.64 60.98 o 0.6992E-05 -4 2 5 8354.75 7998.88 170.93 o 0.6116E-06 -3 2 5 1605.48 1531.61 32.72 o 0.2863E-04 -2 2 5 2395.21 2197.40 81.91 o 0.1109E-04 -1 2 5 426.61 522.86 19.63 o 0.1118E-03 -8 3 5 4062.55 4074.40 115.34 o 0.2871E-05 -7 3 5 47.18 41.49 20.65 o 0.3245E-01 -6 3 5 3650.77 3486.51 113.20 o 0.3800E-05 -5 3 5 2557.46 2570.91 55.15 o 0.9643E-05 -4 3 5 542.86 523.66 22.19 o 0.1236E-03 -3 3 5 2215.04 2115.51 42.16 o 0.1410E-04 -2 3 5 2211.22 2244.00 62.91 o 0.1264E-04 -1 3 5 7884.51 8515.70 367.30 o 0.4928E-06 0 3 5 4259.34 4408.16 215.66 o 0.2376E-05 1 3 5 734.60 649.35 53.24 o 0.1330E-03 -8 4 5 171.86 160.86 20.02 o 0.6825E-04 -7 4 5 4275.86 3909.89 126.33 o 0.2765E-05 -6 4 5 769.98 904.96 36.81 o 0.8279E-04 -5 4 5 2244.69 2360.99 62.87 o 0.1002E-04 -4 4 5 2399.42 2446.15 57.53 o 0.1072E-04 -3 4 5 628.79 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232.51 320.72 37.74 o 0.8008E-04 -12 1 12 -1.85 3.16 3.79 < 0.0000E+00 -11 1 12 100.92 77.69 12.50 o 0.3870E-03 -10 1 12 29.49 29.60 14.31 o 0.2799E-01 -9 1 12 145.12 162.64 14.82 o 0.8941E-04 -8 1 12 15144.26 14367.04 626.77 o 0.2072E-06 -7 1 12 1986.12 1706.30 93.00 o 0.2091E-04 -6 1 12 13.48 43.09 15.07 < 0.0000E+00 -13 2 12 1775.18 1714.90 94.35 o 0.2205E-04 -12 2 12 5755.84 5493.54 172.45 o 0.1265E-05 -11 2 12 2184.60 2012.54 77.68 o 0.1500E-04 -10 2 12 284.41 194.68 25.52 o 0.6384E-04 -9 2 12 2098.33 1895.48 72.45 o 0.1477E-04 -8 2 12 1451.01 1441.06 52.90 o 0.4089E-04 -7 2 12 13.48 1.85 19.29 < 0.0000E+00 -6 2 12 345.06 349.03 33.02 o 0.8480E-04 -12 3 12 32.35 33.40 29.78 < 0.0000E+00 -11 3 12 534.44 492.71 35.86 o 0.1383E-03 -10 3 12 515.23 477.79 35.52 o 0.1345E-03 -9 3 12 351.13 423.37 31.07 o 0.1144E-03 -8 3 12 541.85 561.05 34.14 o 0.1329E-03 -7 3 12 3369.73 3168.43 105.62 o 0.3954E-05 -6 3 12 2515.17 2588.39 84.15 o 0.5782E-05 -15 0 13 2485.52 1906.37 81.05 o 0.8564E-05 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