#------------------------------------------------------------------------------ #$Date: 2012-02-24 10:01:01 +0200 (Fri, 24 Feb 2012) $ #$Revision: 34320 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/8/10/26/8102661.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_8102661_Fobs loop_ _publ_author_name 'Silina, Elga' 'Belyakov, Sergey' 'Ashaks, Janis' 'Pecha, Lucija' 'Zaruma, Daina' _publ_contact_author_address ; Institute of Inorganic Chemistry of Riga Technical University, 34 Miera Street, Salaspils, LV 2169, Latvia ; _publ_contact_author_email 'serg@osi.lv ' _publ_contact_author_fax +371-67800779 _publ_contact_author_name 'Elga Silina' _publ_contact_author_phone +371-67944711 _publ_section_title ; Catena-poli[silver(I)-8-mercaptoquinolinato-N,Se] - silver complex with 8-mercaptoquinoline ; _chemical_compound_source 'synthesised by authors, see text' _chemical_formula_moiety 'C18 H12 Ag2 N2 S2' _chemical_formula_sum 'C18 H12 Ag2 N2 S2' _chemical_formula_weight 536.16 _chemical_name_common '(8-mercaptoquinolinato-N,S) silver' _chemical_name_systematic ; (8-mercaptoquinolinato-N,S) silver ; _space_group_IT_number 14 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.00 _cell_angle_beta 97.770(3) _cell_angle_gamma 90.00 _cell_length_a 8.8508(3) _cell_length_b 18.5170(8) _cell_length_c 10.1176(4) _cell_measurement_reflns_used 1734 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 25.0 _cell_measurement_theta_min 1.8 _cell_volume 1642.95(11) _computing_data_collection 'KappaCCD (Nonius, 1999)' _computing_data_reduction 'Denzo and Scalepak (Otwinowski & Minor, 1997)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.986 _diffrn_measured_fraction_theta_max 0.986 _diffrn_measurement_device_type 'Bruker-Nonius KappaCCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71069 _diffrn_reflns_av_R_equivalents 0.0336 _diffrn_reflns_av_sigmaI/netI 0.0528 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_k_min -24 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_number 7151 _diffrn_reflns_theta_full 28.0 _diffrn_reflns_theta_max 28.0 _diffrn_reflns_theta_min 1.8 _exptl_absorpt_coefficient_mu 2.639 _exptl_absorpt_correction_T_max 0.852 _exptl_absorpt_correction_T_min 0.459 _exptl_absorpt_correction_type integration _exptl_absorpt_process_details ; By Gaussian integration based on eight indexed crystal faces (NUMABS; Coppens, 1970) ; _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 2.168 _exptl_crystal_density_method 'not measured' _exptl_crystal_description Plate _exptl_crystal_F_000 1040 _exptl_crystal_size_max 0.31 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.06 _[local]_cod_data_source_file ZKr.CIF _[local]_cod_data_source_block Ag _[local]_cod_cif_authors_sg_H-M 'P 21/n ' _[local]_cod_cif_authors_sg_Hall '-P 2yn ' _cod_database_code 8102661 _shelx_title ' elga1107' _shelx_refln_list_code 4 _shelx_f_calc_maximum 336.80 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cod_depositor_comments ; Adding Fobs structure factors for the structure 8102661.cif, sent to me by Sergey Belyakov in his 2011-06-19 18:52 e-mail. Saulius Gra\