Reactivity of the Unsaturated Hydride [Mo2(5η-C5H5)2(μ-H)(μ-PCy2)(CO)2] toward 17- and 16-Electron Metal Carbonyl Fragments: Rational Synthesis of Electron-Deficient Heterometallic Clusters
Celedonio M. Alvarez; M. Angeles Alvarez; M. Esther García; Alberto Ramos; Miguel A. Ruiz; Claudia Graiff; Antonio Tiripicchio; Organometallics 26 (2007) 321–331; doi:10.1021/om060826v

data_4063239
_publ_section_title
;
 Reactivity of the Unsaturated Hydride
 [Mo2(5\h-C5H5)2(\m-H)(\m-PCy2)(CO)2] toward 17- and 16-Electron Metal
 Carbonyl Fragments: Rational Synthesis of Electron-Deficient
 Heterometallic Clusters
;
_journal_name_full               Organometallics
_journal_page_first              321
_journal_page_last               331
_journal_paper_doi               10.1021/om060826v
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C23 H27 Fe Mo O6 P'
_chemical_formula_weight         582.21
_chemical_name_systematic
;
 ?
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.51(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.725(5)
_cell_length_b                   16.262(5)
_cell_length_c                   17.103(5)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      19
_cell_measurement_theta_min      11
_cell_volume                     4967(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Philips PW 1100'
_diffrn_measurement_method       'teta 2 teta scan'
_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  0.0258
_diffrn_reflns_av_sigmaI/netI    0.0635
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            14865
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         3.04
_diffrn_standards_decay_%        'no decay'
_diffrn_standards_interval_count 100
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    1.188
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.821
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(Walker et al., 1983)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2368
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.665
_refine_diff_density_min         -0.859
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.808
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         14468
_refine_ls_number_restraints     126
_refine_ls_restrained_S_all      0.827
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0356
_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^)+(0.0468P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0780
_refine_ls_wR_factor_ref         0.0898
_reflns_number_gt                8385
_reflns_number_total             14468
_reflns_threshold_expression     >2sigma(I)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4063239