#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2012048.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_2012048_Fobs loop_ _publ_author_name 'Hao, Qingli' 'Fun, Hoong-Kun' 'Chantrapromma, Suchada' 'Razak, Ibrahim Abdul' 'Jian, Fangfang' 'Yang, Xujie' 'Lu, Lude' 'Wang, Xin' _publ_section_title ; Bis(O,O'-di-p-tolyldithiophosphato-S,S')(1,10-phenanthroline-N,N')nickel(II) ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 717 _journal_page_last 718 _journal_volume 57 _journal_year 2001 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 107.693 _cell_angle_beta 96.349 _cell_angle_gamma 109.896 _cell_length_a 11.1819 _cell_length_b 12.0934 _cell_length_c 17.2860 _exptl_crystal_F_000 888.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file sk1464Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' hql7m in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 220.07 _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 1 0 0 931.68 678.28 42.04 o 2 0 0 19198.13 17036.81 1048.43 o 3 0 0 13.08 19.38 7.17 o 4 0 0 7.44 6.98 7.34 o 5 0 0 278.10 267.11 23.77 o 6 0 0 63.06 63.98 13.05 o 7 0 0 67.81 52.63 12.99 o 8 0 0 3448.50 3126.18 202.60 o 9 0 0 6.90 2.47 11.95 o 10 0 0 1469.74 1568.46 268.49 o 11 0 0 0.00 12.66 18.06 o 12 0 0 20.31 24.02 23.33 o -12 1 0 39.88 4.48 18.89 o -11 1 0 1608.16 1645.47 276.36 o -10 1 0 75.91 100.28 38.97 o -9 1 0 1778.23 1594.06 109.39 o -8 1 0 428.79 364.54 32.61 o -7 1 0 1141.64 1006.80 70.40 o 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