Crystal structure of <i>catena</i>-poly[[aqua(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')cobalt(II)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>-[dicyanidoplatinum(II)]-μ-cyanido-κ^2^<i>C</i>:<i>N</i>]
White, Frankie; Sykora, Richard E.; Acta Crystallographica Section E 70 (2014) m322–m323; doi:10.1107/S1600536814017425

data_2239865
_publ_section_title
;
 Crystal structure of
 <i>catena</i>-poly[[aqua(2,2':6',2''-terpyridine-\k^3^<i>N</i>,<i>N</i>',<i>N</i>'')cobalt(II)]-\m-cyanido-\k^2^<i>N</i>:<i>C</i>-[dicyanidoplatinum(II)]-\m-cyanido-\k^2^<i>C</i>:<i>N</i>]
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m322
_journal_page_last               m323
_journal_paper_doi               10.1107/S1600536814017425
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Co Pt (C N)4 (C15 H11 N3) (H2 O)]'
_chemical_formula_moiety         'C19 H13 Co N7 O Pt'
_chemical_formula_sum            'C19 H13 Co N7 O Pt'
_chemical_formula_weight         609.38
_chemical_name_systematic
<i>catena</i>-Poly[[aqua(2,2':6',2''-terpyridine-\k^3^<i>N</i>,<i>N</i>',<i>N</i>'')cobalt(II)]-\m-cyanido-\k^2^<i>N</i>:<i>C</i>-[dicyanidoplatinum(II)]-\m-cyanido-\k^2^<i>C</i>:<i>N</i>]
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
Olex2 1.2
(compiled 2014.06.27 svn.r2953 for OlexSys, GUI svn.r4855)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 99.005(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.7272(7)
_cell_length_b                   11.5164(5)
_cell_length_c                   11.4048(5)
_cell_measurement_reflns_used    1258
_cell_measurement_temperature    180.00(10)
_cell_measurement_theta_max      28.1000
_cell_measurement_theta_min      4.0150
_cell_volume                     2040.19(16)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
_computing_molecular_graphics    'OLEX2 (Dolomanov <i>et al.</i>, 2009)'
_computing_publication_material
;
OLEX2 (Dolomanov <i>et al.</i>, 2009) and publCIF (Westrip,
2010)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      180.00(10)
_diffrn_detector_area_resol_mean 16.0514
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Agilent Xcalibur Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4788
_diffrn_reflns_theta_full        25.32
_diffrn_reflns_theta_max         25.32
_diffrn_reflns_theta_min         3.54
_exptl_absorpt_coefficient_mu    7.687
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.26442
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2014)
;
_exptl_crystal_colour            'clear pink'
_exptl_crystal_density_diffrn    1.984
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1156
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.098
_exptl_crystal_size_min          0.082
_refine_diff_density_max         1.416
_refine_diff_density_min         -1.522
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     138
_refine_ls_number_reflns         1861
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0338
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0367P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0763
_refine_ls_wR_factor_ref         0.0907
_reflns_number_gt                1262
_reflns_number_total             1861
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            hg5401sup1.cf
_cod_data_source_block           I
_cod_original_cell_volume        2040.20(16)
_cod_database_code               2239865
_cod_database_fobs_code          2239865