Tetrakis(μ-2-phenylquinoline-4-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis[(methanol-κ<i>O</i>)copper(II)]
Guo, Junfang; Yan, Guoping; Acta Crystallographica Section E 68 (2012) m1296–; doi:10.1107/S1600536812039839

data_2236603
_publ_section_title
;
 Tetrakis(\m-2-phenylquinoline-4-carboxylato-\k^2^<i>O</i>:<i>O</i>')bis[(methanol-\k<i>O</i>)copper(II)]
;
_journal_coeditor_code           RZ5004
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1296
_journal_paper_doi               10.1107/S1600536812039839
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu2 (C16 H10 N O2)4 (C H4 O)2]'
_chemical_formula_moiety         'C66 H48 Cu2 N4 O10'
_chemical_formula_sum            'C66 H48 Cu2 N4 O10'
_chemical_formula_weight         1184.16
_chemical_name_systematic
;
Tetrakis(\m-2-phenylquinoline-4-carboxylato-
\k^2^<i>O</i>:<i>O</i>')bis[(methanol-\k<i>O</i>)copper(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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                89.8000(10)
_cell_angle_beta                 87.3480(10)
_cell_angle_gamma                77.3000(10)
_cell_formula_units_Z            1
_cell_length_a                   8.9671(6)
_cell_length_b                   10.5859(7)
_cell_length_c                   14.7767(10)
_cell_measurement_reflns_used    4273
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.51
_cell_measurement_theta_min      2.65
_cell_volume                     1366.86(16)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX CCD'
_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  0.0137
_diffrn_reflns_av_sigmaI/netI    0.0260
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7266
_diffrn_reflns_theta_full        25.52
_diffrn_reflns_theta_max         25.52
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    0.845
_exptl_absorpt_correction_T_max  0.8696
_exptl_absorpt_correction_T_min  0.7796
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             610
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.479
_refine_diff_density_min         -0.297
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         4984
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0453P)^2^+0.8119P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0858
_refine_ls_wR_factor_ref         0.0881
_reflns_number_gt                4583
_reflns_number_total             4984
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rz5004.cif
_cod_data_source_block           I
_cod_database_code               2236603
_cod_database_fobs_code          2236603