Poly[[bis(μ~2~-4,4'-bipyridine)[μ~2~-(2,4-dichlorophenoxy)acetato]copper(I)] nitrate]
Liu, Shi-Zhu; Acta Crystallographica Section E 66 (2010) m199–; doi:10.1107/S1600536810002229

data_2225020
_publ_section_title
;Poly[[bis(\m~2~-4,4'-bipyridine)[\m~2~-(2,4-dichlorophenoxy)acetato]copper(I)]
 nitrate]
;
_journal_coeditor_code           IM2172
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m199
_journal_paper_doi               10.1107/S1600536810002229
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cu2 (C8 H5 Cl2 O3) (C10 H8 N2)2] N O3'
_chemical_formula_moiety         'C28 H21 Cl2 Cu2 N4 O3 +, N O3 -'
_chemical_formula_sum            'C28 H21 Cl2 Cu2 N5 O6'
_chemical_formula_weight         721.5
_chemical_name_systematic
;Poly[[bis(\m~2~-4,4'-bipyridine)[\m~2~-(2,4-dichlorophenoxy)acetato]copper(I)]
nitrate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.835(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.598(2)
_cell_length_b                   18.552(3)
_cell_length_c                   15.212(3)
_cell_measurement_reflns_used    5085
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.20
_cell_measurement_theta_min      1.79
_cell_volume                     2830.7(9)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII area-detector diffractometer'
_diffrn_measurement_method       '\f and \w scan'
_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  0.0316
_diffrn_reflns_av_sigmaI/netI    0.0380
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14129
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    1.744
_exptl_absorpt_correction_T_max  0.9351
_exptl_absorpt_correction_T_min  0.8831
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            rufous
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1456
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.889
_refine_diff_density_min         -0.684
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         5085
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0492
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0680P)^2^+4.0523P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1295
_refine_ls_wR_factor_ref         0.1433
_reflns_number_gt                3787
_reflns_number_total             5085
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            im2172.cif
_cod_data_source_block           I
_cod_original_cell_volume        2830.9(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2225020
_cod_database_fobs_code          2225020