Poly[[bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')copper(I)] perchlorate 0.24-hydrate]
Zhang, Chun-Yan; Yao, Xue-Jun; Wang, Run-Ling; Xie, Cheng-Zhi; Acta Crystallographica Section E 68 (2012) m660–m661; doi:10.1107/S1600536812017266

data_2234606
_publ_section_title
;
 Poly[[bis(\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>')copper(I)]
 perchlorate 0.24-hydrate]
;
_journal_coeditor_code           GK2464
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m660
_journal_page_last               m661
_journal_paper_doi               10.1107/S1600536812017266
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu (C10 H8 N2)2] Cl O4, 0.24H2 O'
_chemical_formula_moiety         'C20 H16 Cu N4 +, Cl O4 -, 0.24(H2 O)'
_chemical_formula_sum            'C20 H16.48 Cl Cu N4 O4.24'
_chemical_formula_weight         479.68
_chemical_name_systematic
;
Poly[[bis(\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>')copper(I)] perchlorate
0.24-hydrate]
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 100.40(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   7.1894(14)
_cell_length_b                   32.380(7)
_cell_length_c                   17.319(4)
_cell_measurement_reflns_used    36980
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      3.05
_cell_volume                     3965.5(15)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 2004)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 2004)'
_computing_data_reduction        'RAPID-AUTO (Rigaku, 2004)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg & Berndt, 2005)'
_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 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP area-detector'
_diffrn_measurement_method       '\w scans'
_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  0.0953
_diffrn_reflns_av_sigmaI/netI    0.0831
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            29543
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.05
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.274
_exptl_absorpt_correction_T_max  0.877
_exptl_absorpt_correction_T_min  0.732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1955
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.432
_refine_diff_density_min         -0.862
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     547
_refine_ls_number_reflns         6849
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.1044
_refine_ls_R_factor_gt           0.0700
_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^)+(0.0887P)^2^+9.2459P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1769
_refine_ls_wR_factor_ref         0.2009
_reflns_number_gt                4507
_reflns_number_total             6849
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            gk2464.cif
_cod_data_source_block           I
_cod_original_cell_volume        3965.6(14)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2234606
_cod_database_fobs_code          2234606