A one-dimensional coordination polymer based on a di-Schiff base supported trinuclear Cu^II^ subunit
Zhang, Liangliang; Liu, Fuling; Yuan, Shuai; Wang, Xiaoyang; Sun, Di; Acta Crystallographica Section C 68 (2012) m97–m99; doi:10.1107/S0108270112009936

data_2018445
_publ_section_title
;
 A one-dimensional coordination polymer based on a di-Schiff base
 supported trinuclear Cu^II^ subunit
;
_journal_coeditor_code           BG3148
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m97
_journal_page_last               m99
_journal_paper_doi               10.1107/S0108270112009936
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu3 (C14 H10 N2 O4)2 (C H4 O)2]'
_chemical_formula_moiety         'C30 H26 Cu3 N4 O10'
_chemical_formula_sum            'C30 H26 Cu3 N4 O10'
_chemical_formula_weight         793.17
_chemical_name_systematic
;
<i>catena</i>-poly[bis(\m~4~-3-{[2-(3-hydroxy-2-
oxidobenzylidene)hydrazinylidene]methyl}benzene-1,2-
diolato)dimethanoltricopper(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           SHELXL97
_cell_angle_alpha                112.281(3)
_cell_angle_beta                 95.373(4)
_cell_angle_gamma                104.862(3)
_cell_formula_units_Z            1
_cell_length_a                   7.9019(5)
_cell_length_b                   10.2333(7)
_cell_length_c                   10.4441(7)
_cell_measurement_reflns_used    5094
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      54.762
_cell_measurement_theta_min      4.535
_cell_volume                     737.93(9)
_computing_cell_refinement       'APEX2 (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD area-detector'
_diffrn_measurement_method       \w
_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  0.0220
_diffrn_reflns_av_sigmaI/netI    0.0281
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            9076
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    2.210
_exptl_absorpt_correction_T_max  0.8093
_exptl_absorpt_correction_T_min  0.7774
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.785
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             401
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.465
_refine_diff_density_min         -0.250
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     221
_refine_ls_number_reflns         3323
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0322
_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^)+(0.0539P)^2^+0.1408P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0852
_refine_ls_wR_factor_ref         0.0927
_reflns_number_gt                2686
_reflns_number_total             3323
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg3148.cif
_cod_data_source_block           I
_cod_original_cell_volume        737.93(8)
_cod_database_code               2018445
_cod_database_fobs_code          2018445