<i>catena</i>-Poly[[(2,9-diethoxy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-di-μ-dicyanamido-κ^4^<i>N</i>^1^:<i>N</i>^5^]
Zheng, Xian-Fu; Niu, Cao-Yuan; Feng, Cao-Ling; Wan, Xin-Sheng; Kou, Chun-Hong; Acta Crystallographica Section E 64 (2008) m1037–m1038; doi:10.1107/S1600536808021727

data_2218882
_publ_section_title
<i>catena</i>-Poly[[(2,9-diethoxy-1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')cadmium(II)]-di-\m-dicyanamido-\k^4^<i>N</i>^1^:<i>N</i>^5^]
_journal_coeditor_code           BH2180
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1037
_journal_page_last               m1038
_journal_paper_doi               10.1107/S1600536808021727
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cd (C2 N3)2 (C16 H16 N2 O2)]'
_chemical_formula_moiety         'C20 H16 Cd N8 O2'
_chemical_formula_sum            'C20 H16 Cd N8 O2'
_chemical_formula_weight         512.81
_chemical_name_systematic
;
<i>catena</i>-Poly[[(2,9-diethoxy-1,10-phenanthroline-
\k^2^<i>N</i>,<i>N</i>')cadmium(II)]-di-\m-dicyanamido-
\k^4^<i>N</i>^1^:<i>N</i>^5^]
;
_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                 106.6760(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.3605(9)
_cell_length_b                   12.4386(8)
_cell_length_c                   11.7582(7)
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.99
_cell_measurement_theta_min      2.21
_cell_volume                     2012.0(2)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Siemens SMART CCD 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  0.0129
_diffrn_reflns_av_sigmaI/netI    0.0146
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6910
_diffrn_reflns_theta_full        28.99
_diffrn_reflns_theta_max         28.99
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    1.122
_exptl_absorpt_correction_T_max  0.8772
_exptl_absorpt_correction_T_min  0.6150
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Siemens, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.346
_refine_diff_density_min         -0.331
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         2607
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0204
_refine_ls_R_factor_gt           0.0191
_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^)+(0.0307P)^2^+0.6141P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0501
_refine_ls_wR_factor_ref         0.0511
_reflns_number_gt                2481
_reflns_number_total             2607
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh2180.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2218882
_cod_database_fobs_code          2218882