Tetrakis(μ-2-phenylacetato-κ^2^<i>O</i>:<i>O</i>')bis{[4-(dimethylamino)pyridine-κ<i>N</i>^1^]cobalt(II)}
Benslimane, Meriem; Redjel, Yasmine Kheira; Dénès, Georges; Merazig, Hocine; Acta Crystallographica Section E 69 (2013) m517–m518; doi:10.1107/S1600536813023258

data_2238531
_publ_section_title
;
 Tetrakis(\m-2-phenylacetato-\k^2^<i>O</i>:<i>O</i>')bis{[4-(dimethylamino)pyridine-\k<i>N</i>^1^]cobalt(II)}
;
_journal_coeditor_code           LR2113
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m517
_journal_page_last               m518
_journal_paper_doi               10.1107/S1600536813023258
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Co2 (C8 H7 O2)4 (C7 H10 N2)2]'
_chemical_formula_moiety         'C46 H48 Co2 N4 O8'
_chemical_formula_sum            'C46 H48 Co2 N4 O8'
_chemical_formula_weight         902.74
_chemical_name_systematic
Tetrakis(\m-2-phenylacetato-\k^2^<i>O</i>:<i>O</i>')bis{[4-(dimethylamino)pyridine-\k<i>N</i>^1^]cobalt(II)}
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.766(5)
_cell_angle_beta                 101.878(5)
_cell_angle_gamma                105.335(5)
_cell_formula_units_Z            1
_cell_length_a                   8.107(5)
_cell_length_b                   11.043(5)
_cell_length_c                   12.573(5)
_cell_measurement_reflns_used    4872
_cell_measurement_temperature    150
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2.28
_cell_volume                     1031.9(9)
_computing_cell_refinement       'SAINT (Bruker, 2012)'
_computing_data_collection       'APEX2 (Bruker, 2012)'
_computing_data_reduction        'SAINT (Bruker, 2012)'
_computing_molecular_graphics
'ORTEPIII (Burnett & Johnson, 1996) and ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1993)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\w and \f'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0186
_diffrn_reflns_av_sigmaI/netI    0.0227
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9238
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.70
_exptl_absorpt_coefficient_mu    0.864
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2012)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       box
_exptl_crystal_F_000             470
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.252
_refine_diff_density_min         -0.244
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         3645
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0281
_refine_ls_R_factor_gt           0.025
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0206P)^2^+0.6871P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0585
_refine_ls_wR_factor_ref         0.0601
_reflns_number_gt                3352
_reflns_number_total             3645
_reflns_threshold_expression     I>2\s(I))
_cod_data_source_file            lr2113.cif
_cod_data_source_block           I
_cod_database_code               2238531
_cod_database_fobs_code          2238531