#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2212377.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_2212377_Fobs loop_ _publ_author_name 'Pevec, Andrej' 'Kozlev\N,N']tetracopper(II): an unexpected neutral bis-pyrazolyl ligand in a tetracopper(II) complex ; _journal_coeditor_code SK3091 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m514 _journal_page_last m516 _journal_volume 63 _journal_year 2007 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 117.609 _cell_angle_beta 98.685 _cell_angle_gamma 98.217 _cell_length_a 9.3869 _cell_length_b 10.6666 _cell_length_c 10.7902 _exptl_crystal_F_000 516.00 _reflns_d_resolution_high 0.7731 _[local]_cod_data_source_file sk3091Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' k840 in P -1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 133.25 _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' 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 3742.04 3612.19 110.90 o 3 0 0 9983.73 9953.89 291.77 o 4 0 0 610.27 535.98 11.70 o 5 0 0 138.51 158.33 3.86 o 6 0 0 22.17 31.76 6.10 o 7 0 0 31.45 27.12 2.25 o 8 0 0 506.12 496.67 16.10 o 9 0 0 98.18 95.91 4.79 o 10 0 0 482.67 515.97 24.80 o 11 0 0 10.59 9.02 11.14 o -11 1 0 132.02 122.82 14.59 o -10 1 0 10.61 16.97 6.50 o -9 1 0 40.78 33.47 4.38 o -8 1 0 14.76 10.94 2.25 o -7 1 0 761.24 758.77 17.96 o -6 1 0 242.92 251.04 6.67 o -5 1 0 14591.66 14101.29 626.04 o -4 1 0 10203.60 10368.20 316.07 o -3 1 0 16.87 13.94 1.13 o -2 1 0 499.81 468.24 10.94 o 1 1 0 810.43 649.70 36.61 o 2 1 0 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