Formal Hydrogenation of a Permetalated Ethene, (μ4-C\δb C)Fe2Ru2(η5-C5Me5)2(CO)8(dppm), via Successive Protonation-Hydride Reduction Leading to C2Hn Cluster Compounds
Masako Terada; Munetaka Akita; Organometallics 22 (2003) 355–364; doi:10.1021/om020722u

data_4060749
_publ_section_title
;
 Formal Hydrogenation of a Permetalated Ethene, (\m4-C\\db
 C)Fe2Ru2(\h5-C5Me5)2(CO)8(dppm), via Successive Protonation-Hydride
 Reduction Leading to C2Hn Cluster Compounds
;
_journal_name_full               Organometallics
_journal_page_first              355
_journal_page_last               364
_journal_paper_doi               10.1021/om020722u
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C68 H69 B F4 Fe2 O7 P2 Ru2 '
_chemical_formula_sum            'C68 H69 B F4 Fe2 O7 P2 Ru2'
_chemical_formula_weight         1460.87
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.96(1)
_cell_angle_beta                 93.70(1)
_cell_angle_gamma                100.648(3)
_cell_formula_units_Z            2
_cell_length_a                   12.623(3)
_cell_length_b                   20.931(4)
_cell_length_c                   12.634(2)
_cell_measurement_reflns_used    8934
_cell_measurement_temperature    213
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.0
_cell_volume                     3177(1)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SHELXS86
_diffrn_detector_area_resol_mean 10.00
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            16486
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.028
_exptl_absorpt_correction_T_max  0.902
_exptl_absorpt_correction_T_min  0.783
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.90
_refine_diff_density_min         -1.43
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_number_parameters     719
_refine_ls_number_reflns         5938
_refine_ls_R_factor_gt           0.0856
_refine_ls_shift/su_max          -0.6720
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2114
_reflns_number_gt                5938
_reflns_number_total             10777
_reflns_threshold_expression     >2.0sigma(I)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C68 H69 B F4 Fe2 O7 P2 Ru2 '
_cod_database_code               4060749