The Reaction Chemistry of Plutonyl(VI) Chloride Complexes with Triphenyl Phosphineoxide and Triphenyl Phosphinimine
Claude Berthon; Nathalie Boubals; Iraida A. Charushnikova; David Collison; Stéphanie M. Cornet; Christophe Den Auwer; Andrew J. Gaunt; Nikolas Kaltsoyannis; Iain May; Sebastien Petit; Michael P. Redmond; Sean D. Reilly; Brian L. Scott; Inorganic Chemistry 49 (2010) 9554–9562; doi:10.1021/ic101251a

data_4316815
_publ_section_title
;
 The Reaction Chemistry of Plutonyl(VI) Chloride Complexes with Triphenyl
 Phosphineoxide and Triphenyl Phosphinimine
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9554
_journal_page_last               9562
_journal_paper_doi               10.1021/ic101251a
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C36 H30 Cl4 O2 P2 Pu'
_chemical_formula_sum            'C36 H30 Cl4 O2 P2 Pu'
_chemical_formula_weight         940.34
_chemical_name_systematic
;
 Tetrachloro-bis(triphenylphosphine oxide) plutonium(iv)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 96.330(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.9751(9)
_cell_length_b                   13.1612(10)
_cell_length_c                   20.2217(15)
_cell_measurement_reflns_used    12412
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_volume                     3696.7(5)
_computing_cell_refinement       'HKL package (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'HKL package (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method
'\f-  \w-scans to cover a hemisphere of the reciprocal space'
_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  0.0785
_diffrn_reflns_av_sigmaI/netI    0.1152
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            10053
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    2.189
_exptl_absorpt_correction_T_max  0.803
_exptl_absorpt_correction_T_min  0.717
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'MULABS (Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.690
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.764
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.884
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     204
_refine_ls_number_reflns         3630
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.884
_refine_ls_R_factor_all          0.1081
_refine_ls_R_factor_gt           0.0479
_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^)+(0.0271P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0687
_refine_ls_wR_factor_ref         0.0801
_reflns_number_gt                2220
_reflns_number_total             3630
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic101251a_si_001.cif
_cod_data_source_block           pu24
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4316815