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_7008071
_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            'C56 H70 Cl6 P2 Pt'
_chemical_formula_weight         1212.85
_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                97.94(3)
_cell_angle_beta                 95.31(3)
_cell_angle_gamma                113.82(3)
_cell_formula_units_Z            1
_cell_length_a                   9.6403(19)
_cell_length_b                   11.055(2)
_cell_length_c                   14.148(3)
_cell_measurement_temperature    173(2)
_cell_volume                     1347.7(6)
_computing_cell_refinement       'SAINT (Bruker-AXS, 2001)'
_computing_data_collection       'SMART (Bruker-AXS, 2001)'
_computing_data_reduction        'SHELXTL (Bruker-AXS, 2001)'
_computing_molecular_graphics    'SHELXTL (Bruker-AXS, 2001)'
_computing_publication_material  'SHELXTL (Bruker-AXS, 2001)'
_computing_structure_refinement  'SHELXTL (Bruker-AXS, 2001)'
_computing_structure_solution    'SHELXTL (Bruker-AXS, 2001)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega 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  0.0387
_diffrn_reflns_av_sigmaI/netI    0.0536
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15773
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    2.996
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_correction_T_min  0.617
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick 1996)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.260
_refine_diff_density_min         -1.967
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         6182
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0343
_refine_ls_R_factor_gt           0.0338
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0435P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0772
_refine_ls_wR_factor_ref         0.0774
_reflns_number_gt                6090
_reflns_number_total             6182
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b416525j.txt
_cod_data_source_block           2c.2CH2Cl2(vpp2ago)
_cod_original_cell_volume        1347.7(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7008071