#------------------------------------------------------------------------------ #$Date: 2016-02-02 14:08:48 +0200 (Tue, 02 Feb 2016) $ #$Revision: 175418 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/99/1519941.cif $ #------------------------------------------------------------------------------ # # 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_1519941 loop_ _publ_author_name 'Laine, Timo V.' 'Klinga, Martti' 'Maaninen, Arto' 'Aitola, Erkki' 'Leskela, Markku' _publ_section_title ; Effect of Metal on the Ethylene Polymerization Behavior of a Diimine-Based Homogeneous Late Transition Metal Catalyst System ; _journal_name_full 'Acta Chemica Scandinavica' _journal_page_first 968 _journal_page_last 973 _journal_volume 53 _journal_year 1999 _chemical_formula_sum 'C26 H36 Br2 Co N2' _chemical_formula_weight 595.32 _space_group_IT_number 15 _symmetry_cell_setting monoclinic _symmetry_Int_Tables_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 106.77(4) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 20.864(6) _cell_length_b 6.882(4) _cell_length_c 19.890(6) _cell_volume 2734(2) _diffrn_ambient_temperature 193 _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71069 _exptl_absorpt_coefficient_mu 3.565 _exptl_crystal_density_diffrn 1.446 _exptl_crystal_F_000 1212 _refine_ls_number_parameters 145 _refine_ls_number_reflns 1414 _refine_ls_R_factor_gt 0.0793 _refine_ls_wR_factor_gt 0.1892 _cod_data_source_file Acta-Chem-Scand-1999-53-968-973-2.cif _cod_data_source_block 1 _cod_depositor_comments ; No atomic coordinates in the paper, a dummy atom was added. See CCDC-101589 ; _cod_cif_authors_sg_H-M 'C 2/c' _cod_original_cell_volume 2735(2) _cod_database_code 1519941 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,y,1/2-z 3 -x,-y,-z 4 x,-y,1/2+z 5 1/2+x,1/2+y,z 6 1/2-x,1/2+y,1/2-z 7 1/2-x,1/2-y,-z 8 1/2+x,1/2-y,1/2+z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_calc_flag ? ? ? ? ? ? ?