#------------------------------------------------------------------------------ #$Date: 2020-11-25 07:21:01 +0200 (Wed, 25 Nov 2020) $ #$Revision: 259243 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/36/2243683.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_2243683 _cell_angle_alpha 70.924 _cell_angle_beta 88.908 _cell_angle_gamma 68.923 _cell_length_a 6.7050 _cell_length_b 8.9733 _cell_length_c 11.4915 _exptl_crystal_F_000 444.00 _reflns_d_resolution_high 0.6614 _cod_data_source_file wm5589TONii-3_223Ksup3.hkl _cod_data_source_block TONii-3_223K _shelx_title ' [Tm(NO3)3(H2O)4]*2H2O (223K) in P-1 (no.2)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 175.64 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' 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 1 0 0 6214.42 6008.20 111.82 o 2 0 0 6182.97 5910.57 76.97 o 3 0 0 1094.71 1031.15 29.09 o 4 0 0 233.12 258.70 19.51 o 5 0 0 4062.36 3991.05 39.69 o 6 0 0 411.11 410.77 24.89 o 7 0 0 1016.10 1076.28 34.01 o 8 0 0 1846.88 1817.28 44.92 o 9 0 0 0.15 -2.53 34.89 o -9 1 0 360.45 360.24 38.62 o -8 1 0 449.24 449.63 37.86 o -7 1 0 1918.41 2032.36 49.54 o -6 1 0 10.31 43.23 24.99 o -5 1 0 3760.91 3792.97 41.70 o -4 1 0 915.94 931.31 22.95 o -3 1 0 1009.91 974.01 24.81 o -2 1 0 30849.75 29076.70 204.96 o -1 1 0 4071.40 4203.01 71.40 o 1 1 0 15626.85 14002.95 176.21 o 2 1 0 33.69 54.23 15.65 o 3 1 0 18544.41 17834.04 189.29 o 4 1 0 196.69 183.07 20.50 o 5 1 0 2693.62 2722.62 37.21 o 6 1 0 2061.12 2047.99 34.39 o 7 1 0 166.89 180.84 22.67 o 8 1 0 2161.15 2165.68 41.90 o 9 1 0 431.39 473.77 37.12 o -8 2 0 0.65 12.37 34.49 o -7 2 0 1369.45 1382.16 39.62 o -6 2 0 458.02 477.60 27.40 o -5 2 0 1377.30 1398.99 29.87 o -4 2 0 10941.58 10973.34 73.94 o -3 2 0 212.78 213.30 21.30 o -2 2 0 14932.59 15031.55 139.48 o -1 2 0 3791.75 3814.22 60.28 o 0 2 0 24.12 50.31 21.90 o 1 2 0 10524.59 9994.91 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