Synthesis and Molecular Structure of [Fe4(CO)10(μ4-O)(κ2-dppn)] (dppn = 1,8-bis(diphenylphosphino)naphthalene): A Missing Piece in the [M4(CO)12(μ4-E)]n−(M = Fe, Ru; E = C, N, O;n= 2, 1, 0) Puzzle
Ghosh, Shishir; Hogarth, Graeme; Kabir, Shariff E.; Miah, Abdul Latif; Salassa, Luca; Sultana, Sharmin; Garino, Claudio; Organometallics 28 (2009) 7047–; doi:10.1021/om900855v

data_4070487
_publ_section_title
;
 Synthesis and Molecular Structure of [Fe4(CO)10(\m4-O)(\k2-dppn)] (dppn =
 1,8-bis(diphenylphosphino)naphthalene): A Missing Piece in the
 [M4(CO)12(\m4-E)]n&#x2212;(M = Fe, Ru; E = C, N, O;n= 2, 1, 0) Puzzle
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              7047
_journal_paper_doi               10.1021/om900855v
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C44 H26 Fe4 O11 P2'
_chemical_formula_weight         1015.99
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 100.173(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.233(2)
_cell_length_b                   17.597(4)
_cell_length_c                   21.277(4)
_cell_measurement_temperature    150(2)
_cell_volume                     4139.6(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker SMART APEX diffractometer'
_diffrn_measurement_method       '\w rotation with narrow frames'
_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  0.0651
_diffrn_reflns_av_sigmaI/netI    0.0713
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            34790
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         2.51
_exptl_absorpt_coefficient_mu    1.513
_exptl_absorpt_correction_T_max  0.8885
_exptl_absorpt_correction_T_min  0.5690
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.646
_refine_diff_density_min         -0.500
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         9893
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.974
_refine_ls_R_factor_all          0.0672
_refine_ls_R_factor_gt           0.0442
_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^)+(0.0446P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.0991
_reflns_number_gt                7206
_reflns_number_total             9893
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om900855v_si_001.cif
_cod_data_source_block           str0674
_cod_original_cell_volume        4139.7(14)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4070487