<i>catena</i>-Poly[[methanolcopper(II)potassium(I)]-μ~3~-1-(3-methoxy-2-oxidobenzylideneamino)-2-(2-oxidobenzamido)ethane]
Luo, Wang-Xi; Yu, Ming-Ming; Zheng, Lei; Cui, Ai-Li; Kou, Hui-Zhong; Acta Crystallographica Section E 63 (2007) m1853–m1854; doi:10.1107/S1600536807027717

data_2214348
_publ_section_title
<i>catena</i>-Poly[[methanolcopper(II)potassium(I)]-\m~3~-1-(3-methoxy-2-oxidobenzylideneamino)-2-(2-oxidobenzamido)ethane]
_journal_coeditor_code           NG2273
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1853
_journal_page_last               m1854
_journal_paper_doi               10.1107/S1600536807027717
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu K (C17 H15 N2 O4) (C H4 O)]'
_chemical_formula_moiety         'C18 H19 Cu K N2 O5'
_chemical_formula_sum            'C18 H19 Cu K N2 O5'
_chemical_formula_weight         445.99
_chemical_name_systematic
;
catena-Poly[[methanolcopper(II)potassium(I)]-\m~3~-
1-(3-methoxy-2-oxidobenzylideneamino)-2-(2-oxidobenzamido)ethane]
;
_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                72.19(2)
_cell_angle_beta                 77.68(3)
_cell_angle_gamma                78.69(2)
_cell_formula_units_Z            2
_cell_length_a                   8.851(6)
_cell_length_b                   9.139(6)
_cell_length_c                   12.458(6)
_cell_measurement_reflns_used    4201
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.01
_cell_volume                     928.0(10)
_computing_cell_refinement       CrystalStructure
_computing_data_collection       'CrystalStructure (Rigaku/MSC, 2004)'
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    'XP (Sheldrick, 1998)'
_computing_publication_material  XP
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.1
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_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  0.0452
_diffrn_reflns_av_sigmaI/netI    0.0608
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9074
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.433
_exptl_absorpt_correction_T_max  0.759
_exptl_absorpt_correction_T_min  0.732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             458
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.550
_refine_diff_density_min         -0.396
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         4201
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0593
_refine_ls_R_factor_gt           0.0418
_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^)+(0.01P)^2^+P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0844
_refine_ls_wR_factor_ref         0.0907
_reflns_number_gt                3241
_reflns_number_total             4201
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ng2273.cif
_cod_data_source_block           I
_cod_database_code               2214348
_cod_database_fobs_code          2214348