Bis(μ-dithieno[3,2-<i>b</i>:2',3'-<i>d</i>]thiophene-2,6-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^6^)bis[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] dimethylformamide disolvate
MacNeill, Christopher M.; Day, Cynthia S.; Noftle, Ronald E.; Acta Crystallographica Section E 65 (2009) m486–; doi:10.1107/S1600536809011337

data_2221778
_publ_section_title
;Bis(\m-dithieno[3,2-<i>b</i>:2',3'-<i>d</i>]thiophene-2,6-dicarboxylato-\k^2^<i>O</i>^2^:<i>O</i>^6^)bis[bis(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')cobalt(II)]
 dimethylformamide disolvate
;
_journal_coeditor_code           PK2151
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m486
_journal_paper_doi               10.1107/S1600536809011337
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Co2 (C10 H2 O4 S3)2 (C12 H8 N2)4], 2C3 H7 N O'
_chemical_formula_moiety         'C68 H36 Co2 N8 O8 S6, 2(C3 H7 N O)'
_chemical_formula_sum            'C74 H50 Co2 N10 O10 S6'
_chemical_formula_weight         1549.52
_chemical_name_systematic
;
Bis(\m-dithieno[3,2-b:2',3'-d]thiophene-2,6-dicarboxylato-
\k^2^<i>O</i>^2^:<i>O</i>^6^)bis[bis(1,10-phenanthroline-
\k^2^<i>N</i>,<i>N</i>')cobalt(II)] dimethylformamide disolvate
;
_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
_cell_angle_alpha                91.173(3)
_cell_angle_beta                 105.065(3)
_cell_angle_gamma                93.057(3)
_cell_formula_units_Z            1
_cell_length_a                   9.884(3)
_cell_length_b                   11.492(3)
_cell_length_c                   15.215(4)
_cell_measurement_reflns_used    2172
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      22.91
_cell_measurement_theta_min      3.92
_cell_volume                     1665.4(8)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008b)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008b)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008b)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008b)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX CCD'
_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  0.0454
_diffrn_reflns_av_sigmaI/netI    0.0760
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15360
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.92
_exptl_absorpt_coefficient_mu    0.757
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_correction_T_min  0.828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2008a)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       gem
_exptl_crystal_F_000             794
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.624
_refine_diff_density_min         -0.443
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     462
_refine_ls_number_reflns         7532
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0901
_refine_ls_R_factor_gt           0.0617
_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^)+(0.0536P)^2^+0.6813P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1220
_refine_ls_wR_factor_ref         0.1333
_reflns_number_gt                5496
_reflns_number_total             7532
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            pk2151.cif
_cod_data_source_block           I
_cod_original_cell_volume        1665.4(7)
_cod_database_code               2221778
_cod_database_fobs_code          2221778