[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)acenaphthene-1,2-diimine-1κ^2^<i>N</i>,<i>N</i>']heptacarbonyl-1κ<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-di-μ~3~-tellurido-triiiron(II)(2 <i>Fe</i>—<i>Fe</i>)
Piryazev, Dmitry A.; Ogienko, Mikhail A.; Virovets, Alexander V.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Acta Crystallographica Section C 68 (2012) m320–m322; doi:10.1107/S0108270112040012

data_2018610
_publ_section_title
;
 [<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)acenaphthene-1,2-diimine-1\k^2^<i>N</i>,<i>N</i>']heptacarbonyl-1\k<i>C</i>,2\k^3^<i>C</i>,3\k^3^<i>C</i>-di-\m~3~-tellurido-triiiron(II)(2
 <i>Fe</i>---<i>Fe</i>)
;
_journal_coeditor_code           EM3053
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m320
_journal_page_last               m322
_journal_paper_doi               10.1107/S0108270112040012
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Fe3 Te2 (C O)7 (C36 H40 N2) (C O)7]'
_chemical_formula_moiety         'C43 H40 Fe3 N2 O7 Te2'
_chemical_formula_structural     'Fe3Te2(C O)7(C36H40N2)'
_chemical_formula_sum            'C43 H40 Fe3 N2 O7 Te2'
_chemical_formula_weight         1119.52
_chemical_name_systematic
;
[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)acenaphthene-1,2-diimine-
1\k^2^<i>N</i>,<i>N</i>']heptacarbonyl-
1\k<i>C</i>,2\k^3^<i>C</i>,3\k^3^<i>C</i>-di-\m~3~-tellurido-
triiiron(II)(2 <i>Fe</i>---<i>Fe</i>)
;
_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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.5800(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.5954(2)
_cell_length_b                   31.7767(6)
_cell_length_c                   23.7179(5)
_cell_measurement_reflns_used    9975
_cell_measurement_temperature    150.0(2)
_cell_measurement_theta_max      29.1349
_cell_measurement_theta_min      2.1625
_cell_volume                     8617.3(3)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150.0(2)
_diffrn_detector_area_resol_mean 25
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Bruker X8 APEXII CCD detector'
_diffrn_measurement_method       'combined \w and \f scans'
_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  0.0324
_diffrn_reflns_av_sigmaI/netI    0.0450
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            50905
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         2.16
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.374
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.854524
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
'(based on intensities; SADABS, Bruker, 2008)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4400
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.738
_refine_diff_density_min         -1.195
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1043
_refine_ls_number_reflns         15649
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0697
_refine_ls_R_factor_gt           0.0372
_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^)+(0.0337P)^2^+35.0506P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0828
_refine_ls_wR_factor_ref         0.0966
_reflns_number_gt                11164
_reflns_number_total             15647
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            em3053.cif
_cod_data_source_block           II
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2018610
_cod_database_fobs_code          2018610