<i>catena</i>-Poly[[[(4,7-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(formato-κ<i>O</i>)copper(II)]-μ-formato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]
Jian-Li Lin; Xue-ke Qiu; Yue-Qing Zheng; Acta Crystallographica Section E 63 (2007) m2559–m2560; doi:10.1107/S1600536807044650

data_2215365
_publ_section_title
;<i>catena</i>-Poly[[[(4,7-dimethyl-1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')(formato-\k<i>O</i>)copper(II)]-\m-formato-\k^2^<i>O</i>:<i>O</i>']
 monohydrate]
;
_journal_coeditor_code           BQ2034
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2559
_journal_page_last               m2560
_journal_paper_doi               10.1107/S1600536807044650
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu (CH O2)2 (C14 H12 N2)], H2 O'
_chemical_formula_moiety         'C16 H14 Cu N2 O4, H2 O'
_chemical_formula_sum            'C16 H16 Cu N2 O5'
_chemical_formula_weight         379.85
_chemical_name_systematic
;
<i>catena</i>-Poly[[[(4,7-dimethyl-1,10-phenanthroline-
\k^2^<i>N</i>,<i>N</i>')(formato-\kO)copper(II)]-
\m-formato-\k^2^<i>O</i>:<i>O</i>'] monohydrate]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 109.17(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.260(4)
_cell_length_b                   7.5010(15)
_cell_length_c                   20.819(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      5.0
_cell_volume                     3135.9(12)
_computing_cell_refinement       'XSCANS (Siemens, 1996)'
_computing_data_collection       'XSCANS (Siemens, 1996)'
_computing_data_reduction        'XSCANS (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'SHELXTL (Bruker, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\q/2\q scans'
_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  0.0257
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            4506
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.422
_exptl_absorpt_correction_T_max  0.758
_exptl_absorpt_correction_T_min  0.514
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'XSCANS (Siemens, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1560
_exptl_crystal_size_max          0.486
_exptl_crystal_size_mid          0.422
_exptl_crystal_size_min          0.202
_refine_diff_density_max         0.289
_refine_diff_density_min         -0.369
_refine_ls_extinction_coef       SHELXL
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         3610
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0731
_refine_ls_R_factor_gt           0.0424
_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^)+(0.0430P)^2^+3.5441P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0916
_refine_ls_wR_factor_ref         0.1037
_reflns_number_gt                2545
_reflns_number_total             3610
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bq2034.cif
_cod_data_source_block           I
_cod_original_cell_volume        3135.9(11)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2215365
_cod_database_fobs_code          2215365