<i>catena</i>-Poly[[[bis(<i>N</i>,<i>N</i>-dimethylformamide)iron(II)]-{μ-2,2'-bis(diphenylphosphinoyl)-<i>N</i>,<i>N</i>'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diyl]dibenzamide}] bis(perchlorate) <i>N</i>,<i>N</i>-dimethylformamide disolvate]
Ferrell, Grant R.; Moore, Curtis; Rheingold, Arnold L.; Daley, Christopher J. A.; Acta Crystallographica Section E 65 (2009) m1512–m1513; doi:10.1107/S1600536809045188

data_2224123
_publ_section_title
;<i>catena</i>-Poly[[[bis(<i>N</i>,<i>N</i>-dimethylformamide)iron(II)]-{\m-2,2'-bis(diphenylphosphinoyl)-<i>N</i>,<i>N</i>'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diyl]dibenzamide}]
 bis(perchlorate) <i>N</i>,<i>N</i>-dimethylformamide disolvate]
;
_journal_coeditor_code           BR2120
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1512
_journal_page_last               m1513
_journal_paper_doi               10.1107/S1600536809045188
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Fe (C44 H40 N2 O4 P2) (C3 H7 N O)2], (Cl O4)2, 2C3 H7 N O'
_chemical_formula_moiety
'C50 H54 Fe N4 O6 P2 +2, 2(Cl O4 -), 2(C3 H7 N O)'
_chemical_formula_sum            'C56 H68 Cl2 Fe N6 O16 P2'
_chemical_formula_weight         1269.85
_chemical_name_systematic
;
<i>catena</i>-Poly[[[bis(<i>N</i>,<i>N</i>-dimethylformamide)iron(II)]-
{\m-2,2'-bis(diphenylphosphinoyl)-<i>N</i>,<i>N</i>'-[(1<i>R</i>,2<i>R</i>)-
cyclohexane-1,2-diyl]dibenzamide}] bis(perchlorate)
<i>N</i>,<i>N</i>-dimethylformamide disolvate]
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9725(4)
_cell_length_b                   15.4417(6)
_cell_length_c                   36.2173(14)
_cell_measurement_reflns_used    9959
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.63
_cell_measurement_theta_min      2.17
_cell_volume                     6136.4(4)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'ORETP-3 (Farrugia, 1997)'
_computing_publication_material  'pubCIF (Westrip, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII 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  0.0533
_diffrn_reflns_av_sigmaI/netI    0.0670
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            41558
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    0.456
_exptl_absorpt_correction_T_max  0.9144
_exptl_absorpt_correction_T_min  0.8946
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2656
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.896
_refine_diff_density_min         -0.677
_refine_ls_abs_structure_details 'Flack (1983), 5499 Friedel pairs'
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_extinction_coef       0.0008(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     820
_refine_ls_number_reflns         12467
_refine_ls_number_restraints     110
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0928
_refine_ls_R_factor_gt           0.0691
_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^)+(0.1202P)^2^+2.5012P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1794
_refine_ls_wR_factor_ref         0.1968
_reflns_number_gt                9643
_reflns_number_total             12467
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br2120.cif
_cod_data_source_block           I
_cod_database_code               2224123
_cod_database_fobs_code          2224123