Poly[[<i>{μ</i>}~3~-4-(4,5-diazafluoren-9-ylideneamino)benzoato-κ^3^<i>O</i>,<i>O</i>':<i>N</i>](methanol-κ<i>O</i>)(thiocyanato-κ<i>N</i>)cadmium(II)]
Ju-Mei Zheng; Chen-Xia Du; Yang-Jie Wu; Acta Crystallographica Section E 63 (2007) m2175–m2175; doi:10.1107/S1600536807019460

data_2214809
_publ_section_title
Poly[[<i>{\m</i>}~3~-4-(4,5-diazafluoren-9-ylideneamino)benzoato-\k^3^<i>O</i>,<i>O</i>':<i>N</i>](methanol-\k<i>O</i>)(thiocyanato-\k<i>N</i>)cadmium(II)]
_journal_coeditor_code           NG2247
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2175
_journal_page_last               m2175
_journal_paper_doi               10.1107/S1600536807019460
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cd (C18 H10 N1 O2) (NCS) (C H4 O)]'
_chemical_formula_moiety         'C20 H14 Cd N4 O3 S'
_chemical_formula_sum            'C20 H14 Cd N4 O3 S'
_chemical_formula_weight         502.81
_chemical_name_systematic
;
Poly[[<i>\m</i>~3~-4-(4,5-diazafluoren-9-ylideneamino)benzoato-
\k^3^<i>O</i>,<i>O</i>':<i>N</i>](methanol-\k<i>O</i>)(thiocyanoato-
\k<i>N</i>)cadmium(II)]
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.1930(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.3118(7)
_cell_length_b                   8.8422(7)
_cell_length_c                   26.829(2)
_cell_measurement_reflns_used    6196
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      28.01
_cell_measurement_theta_min      2.43
_cell_volume                     1951.7(3)
_computing_cell_refinement       'SAINT (Bruker 2001)'
_computing_data_collection       'SMART (Bruker 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 2001)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker 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  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0225
_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       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            17426
_diffrn_reflns_theta_full        28.18
_diffrn_reflns_theta_max         28.18
_diffrn_reflns_theta_min         2.43
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.256
_exptl_absorpt_correction_T_max  0.8711
_exptl_absorpt_correction_T_min  0.7176
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.726
_refine_diff_density_min         -0.804
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         4767
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0293
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0347P)^2^+1.1560P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0684
_refine_ls_wR_factor_ref         0.0726
_reflns_number_gt                4054
_reflns_number_total             4767
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2247.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2214809
_cod_database_fobs_code          2214809