<i>catena</i>-Poly[[(pyridine-κ<i>N</i>)copper(II)]-μ-<i>N</i>-salicylideneglycinato-κ^4^<i>O,N,O</i>':<i>O</i>']
Butcher, Ray J.; Mockler, Garry M.; McKern, Owen; Acta Crystallographica Section E 59 (2003) m1104–m1106; doi:10.1107/S1600536803024991

data_2202655
_publ_section_title
<i>catena</i>-Poly[[(pyridine-\k<i>N</i>)copper(II)]-\m-<i>N</i>-salicylideneglycinato-\k^4^<i>O,N,O</i>':<i>O</i>']
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1104
_journal_page_last               m1106
_journal_paper_doi               10.1107/S1600536803024991
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Cu (C5 H5 N) (C9 H7 N O3) (C5 H5 N)]'
_chemical_formula_moiety         'C14 H12 Cu N2 O3'
_chemical_formula_sum            'C14 H12 Cu N2 O3'
_chemical_formula_weight         319.80
_chemical_name_common
;
catena-Poly[[(pyridine-\kN)copper(II)]-\m-N-salicylideneglycinato-
\k^4^O,N,O':O']
;
_chemical_name_systematic
;
catena-Poly[[(pyridine-\kN)copper(II)]-\m-N-salicylideneglycinato-
\k^4^O,N,O':O']
;
_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                 102.929(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.8517(15)
_cell_length_b                   11.7867(17)
_cell_length_c                   9.6046(11)
_cell_measurement_reflns_used    40
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.45
_cell_measurement_theta_min      4.68
_cell_volume                     1307.7(3)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Siemens, 1994)'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       2\q/\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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0292
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2698
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.78
_diffrn_standards_decay_%        0.15
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.678
_exptl_absorpt_correction_T_max  0.818
_exptl_absorpt_correction_T_min  0.447
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   'North et al., 1968'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.79
_exptl_crystal_size_mid          0.63
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.417
_refine_diff_density_min         -0.283
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         2698
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0315
_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^)+(0.0464P)^2^+0.4318P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0802
_refine_ls_wR_factor_ref         0.0857
_reflns_number_gt                2267
_reflns_number_total             2698
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fl6068.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2202655
_cod_database_fobs_code          2202655