<i>catena</i>-Poly[copper(II)-bis(μ-2-formyl-6-methoxyphenolato-κ^4^<i>O</i>^2^,<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^6^)-[(methanol-κ<i>O</i>)sodium]-μ-perchlorato-κ^2^<i>O</i>:<i>O</i>']
Gao, Ting; Gao, Po; Li, Hong-Feng; Zhang, Ju-Wen; Xu, Li-Li; Acta Crystallographica Section E 68 (2012) m152–; doi:10.1107/S1600536812000876

data_2233506
_publ_section_title
;
 <i>catena</i>-Poly[copper(II)-bis(\m-2-formyl-6-methoxyphenolato-\k^4^<i>O</i>^2^,<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^6^)-[(methanol-\k<i>O</i>)sodium]-\m-perchlorato-\k^2^<i>O</i>:<i>O</i>']
;
_journal_coeditor_code           HY2501
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m152
_journal_paper_doi               10.1107/S1600536812000876
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu Na (C8 H7 O3)2 (Cl O4) (C H4 O)]'
_chemical_formula_moiety         'C17 H18 Cl Cu Na O11'
_chemical_formula_sum            'C17 H18 Cl Cu Na O11'
_chemical_formula_weight         520.29
_chemical_name_systematic
;
<i>catena</i>-Poly[copper(II)-bis(\m-2-formyl-6-methoxyphenolato-
\k^4^<i>O</i>^2^,<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^6^)-[(methanol-
\k<i>O</i>)sodium]-\m-perchlorato-\k^2^<i>O</i>:<i>O</i>']
;
_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
_cell_angle_alpha                81.27(3)
_cell_angle_beta                 84.24(3)
_cell_angle_gamma                68.25(3)
_cell_formula_units_Z            2
_cell_length_a                   7.9552(16)
_cell_length_b                   8.9453(18)
_cell_length_c                   15.563(3)
_cell_measurement_reflns_used    8587
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      3.00
_cell_volume                     1015.6(4)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_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 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotation anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0214
_diffrn_reflns_av_sigmaI/netI    0.0266
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9778
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    1.288
_exptl_absorpt_correction_T_max  0.7136
_exptl_absorpt_correction_T_min  0.6100
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.701
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             530
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.575
_refine_diff_density_min         -0.588
_refine_ls_extinction_coef       0.035(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         4591
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.204
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0336
_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^)+(0.0586P)^2^+0.4273P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0947
_refine_ls_wR_factor_ref         0.1078
_reflns_number_gt                3948
_reflns_number_total             4591
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2501.cif
_cod_data_source_block           I
_cod_database_code               2233506
_cod_database_fobs_code          2233506