Tetra-μ-methacrylato-κ^8^<i>O</i>:<i>O</i>'-bis[(pyridine-κ<i>N</i>)copper(II)]
Wu, Bin; Wang, Guocheng; Acta Crystallographica Section E 60 (2004) m1764–m1765; doi:10.1107/S160053680402759X

data_2204654
_publ_section_title
Tetra-\m-methacrylato-\k^8^<i>O</i>:<i>O</i>'-bis[(pyridine-\k<i>N</i>)copper(II)]
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1764
_journal_page_last               m1765
_journal_paper_doi               10.1107/S160053680402759X
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Cu2 (C4 H5 O2)4 (C5 H5 N)2]'
_chemical_formula_moiety         'C26 H30 Cu2 N2 O8'
_chemical_formula_sum            'C26 H30 Cu2 N2 O8'
_chemical_formula_weight         625.60
_chemical_name_systematic
;
tetra-\m-methacrylato-\k^8^O:O'-bis[(pyridine-\kN)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                100.57(3)
_cell_angle_beta                 92.76(3)
_cell_angle_gamma                95.88(3)
_cell_formula_units_Z            2
_cell_length_a                   8.8214(18)
_cell_length_b                   9.936(2)
_cell_length_c                   16.392(3)
_cell_measurement_reflns_used    7999
_cell_measurement_temperature    263(2)
_cell_measurement_theta_max      27.42
_cell_measurement_theta_min      1.27
_cell_volume                     1401.6(5)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      263(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_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  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0280
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11151
_diffrn_reflns_theta_full        25.80
_diffrn_reflns_theta_max         25.80
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    1.566
_exptl_absorpt_correction_T_max  0.687
_exptl_absorpt_correction_T_min  0.651
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.470
_refine_diff_density_min         -0.331
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         5342
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0333
_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^)+(0.0412P)^2^+0.4712P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0743
_refine_ls_wR_factor_ref         0.0792
_reflns_number_gt                4326
_reflns_number_total             5342
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv6405.cif
_cod_data_source_block           I
_cod_database_code               2204654
_cod_database_fobs_code          2204654