A triclinic polymorph of <i>catena</i>-poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)cobalt(II)]-di-μ-1,5-dicyanamido-κ^4^<i>N</i>^1^:<i>N</i>^5^]
Meng, S. C.; Acta Crystallographica Section E 68 (2012) m1404–; doi:10.1107/S1600536812043310

data_2236612
_publ_section_title
;
 A triclinic polymorph of
 <i>catena</i>-poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)cobalt(II)]-di-\m-1,5-dicyanamido-\k^4^<i>N</i>^1^:<i>N</i>^5^]
;
_journal_coeditor_code           RZ5015
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1404
_journal_paper_doi               10.1107/S1600536812043310
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Co (C2 N3)2 (C3 H7 N O)2]'
_chemical_formula_moiety         'C10 H14 Co N8 O2'
_chemical_formula_sum            'C10 H14 Co N8 O2'
_chemical_formula_weight         337.22
_chemical_name_systematic
;<i>catena</i>-poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide-
\k<i>O</i>)cobalt(II)]-di-\m-1,5-dicyanamido-\k^4^<i>N</i>^1^:<i>N</i>^5^]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'SHELXTL (Sheldrick, 2008)'
_cell_angle_alpha                105.69(3)
_cell_angle_beta                 107.94(3)
_cell_angle_gamma                96.19(3)
_cell_formula_units_Z            1
_cell_length_a                   6.4315(13)
_cell_length_b                   7.3879(15)
_cell_length_c                   8.6210(17)
_cell_measurement_reflns_used    1585
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.0615
_cell_measurement_theta_min      4.4723
_cell_volume                     366.93(17)
_computing_cell_refinement       'CrystalClear (Rigaku, 2008)'
_computing_data_collection       'CrystalClear (Rigaku, 2008)'
_computing_data_reduction        'CrystalClear (Rigaku, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Rigaku Saturn724+'
_diffrn_measurement_method       \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  0.0153
_diffrn_reflns_av_sigmaI/netI    0.0266
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2514
_diffrn_reflns_theta_full        25.34
_diffrn_reflns_theta_max         25.34
_diffrn_reflns_theta_min         4.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.187
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8445
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2008)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             173
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.216
_refine_diff_density_min         -0.244
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     97
_refine_ls_number_reflns         1319
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0254
_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^)+(0.0266P)^2^+0.1190P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0607
_refine_ls_wR_factor_ref         0.0614
_reflns_number_gt                1242
_reflns_number_total             1319
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            rz5015.cif
_cod_data_source_block           I
_cod_database_code               2236612
_cod_database_fobs_code          2236612