Special effects of ortho-isopropylphenyl groups. Diastereoisomerism in platinum(II) and palladium(II) complexes of helically chiral PAr3 ligands.
Baber, R. Angharad; Orpen, A. Guy; Pringle, Paul G.; Wilkinson, Matthew J.; Wingad, Richard L.; Dalton transactions (Cambridge, England : 2003)  (2005) 659–667; doi:10.1039/b416525j

data_7008073
_publ_section_title
;
 Special effects of ortho-isopropylphenyl groups. Diastereoisomerism in
 platinum(II) and palladium(II) complexes of helically chiral PAr3
 ligands.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              659
_journal_page_last               667
_journal_paper_doi               10.1039/b416525j
_journal_year                    2005
_chemical_formula_sum            'C60 H76 Cl2 O6 P2 Pt2'
_chemical_formula_weight         1416.23
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                101.28(3)
_cell_angle_beta                 104.34(2)
_cell_angle_gamma                112.02(3)
_cell_formula_units_Z            1
_cell_length_a                   11.359(3)
_cell_length_b                   11.719(3)
_cell_length_c                   13.130(6)
_cell_measurement_reflns_used    1081
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18.71
_cell_measurement_theta_min      2.66
_cell_volume                     1486.7(10)
_computing_cell_refinement       'Bruker SMART (Bruker, 1998)'
_computing_data_collection       'Bruker SMART (Bruker, 1998)'
_computing_data_reduction        'Bruker SAINT (Bruker, 1998)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker, 1998)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 1998)'
_computing_structure_refinement  'Bruker SHELXTL (Bruker, 1998)'
_computing_structure_solution    'Bruker SHELXTL (Bruker, 1998)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.924
_diffrn_measured_fraction_theta_max 0.924
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '\w scans'
_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  0.0677
_diffrn_reflns_av_sigmaI/netI    0.1812
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8236
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    4.891
_exptl_absorpt_correction_T_max  0.70925
_exptl_absorpt_correction_T_min  0.41694
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SHELXTL (Bruker, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.408
_refine_diff_density_min         -0.868
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.886
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         6304
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.886
_refine_ls_R_factor_all          0.1607
_refine_ls_R_factor_gt           0.0654
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0300P)^2^+1.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1379
_reflns_number_gt                2691
_reflns_number_total             6304
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b416525j.txt
_cod_data_source_block           c3poapex
_cod_original_cell_volume        1486.5(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7008073