<i>catena</i>-Poly[[(nitrato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-acetamido-κ^2^<i>O</i>:<i>N</i>]
Liu, T.; Zhu, J. Y.; Acta Crystallographica Section E 63 (2007) m3108–; doi:10.1107/S1600536807059077

data_2216221
_publ_section_title
<i>catena</i>-Poly[[(nitrato-\k<i>O</i>)(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')copper(II)]-\m-acetamido-\k^2^<i>O</i>:<i>N</i>]
_journal_coeditor_code           AT2484
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3108
_journal_paper_doi               10.1107/S1600536807059077
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu (N O3) (C2 H4 N O) (C12 H8 N2)]'
_chemical_formula_moiety         'C14 H12 Cu N4 O4'
_chemical_formula_sum            'C14 H12 Cu N4 O4'
_chemical_formula_weight         363.82
_chemical_name_systematic
;
<i>catena</i>-Poly[[(nitrato-\k<i>O</i>)(1,10-phenanthroline-
\k^2^<i>N</i>,<i>N</i>')copper(II)]-\m-acetamido-\k^2^<i>O</i>:<i>N</i>]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.904(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.680(2)
_cell_length_b                   9.190(3)
_cell_length_c                   17.0137(12)
_cell_measurement_reflns_used    5781
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      26.998
_cell_measurement_theta_min      2.305
_cell_volume                     1328.0(5)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  'SHELXTL (Siemens, 1996)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_diffrn_measurement_method       '\f and \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  0.0169
_diffrn_reflns_av_sigmaI/netI    0.0177
_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       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            8439
_diffrn_reflns_theta_full        26.65
_diffrn_reflns_theta_max         26.65
_diffrn_reflns_theta_min         2.45
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.674
_exptl_absorpt_correction_T_max  0.6948
_exptl_absorpt_correction_T_min  0.6241
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.820
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.797
_refine_diff_density_min         -0.689
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     209
_refine_ls_number_reflns         2679
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0410
_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^)+(0.0915P)^2^+0.5483P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1258
_refine_ls_wR_factor_ref         0.1303
_reflns_number_gt                2285
_reflns_number_total             2679
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            at2484.cif
_cod_data_source_block           I
_cod_original_cell_volume        1328.0(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2216221
_cod_database_fobs_code          2216221