Reactivity of acryloyl chloride towards the anion [Cp2(CO)4Mo2(μ-PPhH)]−; synthesis of an unusual phosphaalkene
Davies, John E.; Mays, Martin J.; Raithby, Paul R.; Woods, Anthony D.; Chemical Communications  (1999) 2455–; doi:10.1039/a907915g

data_7110739
_publ_section_title
;
 Reactivity of acryloyl chloride towards the anion
 [Cp2(CO)4Mo2(\m-PPhH)]&#x2212;; synthesis of an unusual phosphaalkene
;
_journal_issue                   24
_journal_name_full               'Chemical Communications'
_journal_page_first              2455
_journal_paper_doi               10.1039/a907915g
_journal_year                    1999
_chemical_formula_sum            'C28 H23 Mo2 O4 P'
_chemical_formula_weight         646.31
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.190(10)
_cell_angle_beta                 102.920(10)
_cell_angle_gamma                106.260(10)
_cell_formula_units_Z            2
_cell_length_a                   8.3040(10)
_cell_length_b                   9.9780(10)
_cell_length_c                   16.0240(10)
_cell_measurement_temperature    180(2)
_cell_volume                     1229.2(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_sigmaI/netI    0.0852
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8409
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.63
_exptl_absorpt_coefficient_mu    1.119
_exptl_absorpt_correction_T_max  0.9672
_exptl_absorpt_correction_T_min  0.8963
_exptl_crystal_density_diffrn    1.746
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.675
_refine_diff_density_min         -0.569
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         5582
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0734
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.174
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0237P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0732
_refine_ls_wR_factor_ref         0.0823
_reflns_number_gt                3928
_reflns_number_total             5582
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            907915gsup1.cif
_cod_data_source_block           mm9917
_cod_database_code               7110739