Coordination chemistry of phosphanyl amino acids: solid state and solution structures of neutral and cationic rhodium complexes.
Meyer, Christian; Scherer, Markus; Schönberg, Hartmut; Rüegger, Heinz; Loss, Sandra; Gramlich, Volker; Grützmacher, Hansjörg; Dalton transactions (Cambridge, England : 2003)  (2006) 137–148; doi:10.1039/b512653c

data_7006658
_publ_section_title
;
 Coordination chemistry of phosphanyl amino acids: solid state and
 solution structures of neutral and cationic rhodium complexes.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              137
_journal_page_last               148
_journal_paper_doi               10.1039/b512653c
_journal_year                    2006
_chemical_absolute_configuration R
_chemical_formula_moiety         'C32 H36 As Cl N O4 Rh'
_chemical_formula_sum            'C32 H36 As Cl N O4 Rh'
_chemical_formula_weight         711.90
_chemical_name_systematic        ' ?'
_space_group_IT_number           1
_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
_cell_angle_alpha                87.2010(10)
_cell_angle_beta                 76.2770(10)
_cell_angle_gamma                68.5070(10)
_cell_formula_units_Z            1
_cell_length_a                   8.3011(2)
_cell_length_b                   9.7422(3)
_cell_length_c                   10.7146(3)
_cell_measurement_temperature    293(2)
_cell_volume                     782.54(4)
_computing_cell_refinement       'SAINT v4'
_computing_data_collection       'SMART v4'
_computing_data_reduction        'SAINT v4'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1994)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.876
_diffrn_measured_fraction_theta_max 0.876
_diffrn_measurement_device_type  'Siemens CCD1k'
_diffrn_measurement_method       'phi and 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  0.0410
_diffrn_reflns_av_sigmaI/netI    0.0790
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8075
_diffrn_reflns_theta_full        32.70
_diffrn_reflns_theta_max         32.70
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    1.716
_exptl_absorpt_correction_T_max  0.5469
_exptl_absorpt_correction_T_min  0.2787
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             362
_exptl_crystal_size_max          1
_exptl_crystal_size_mid          0.6
_exptl_crystal_size_min          0.4
_refine_diff_density_max         1.068
_refine_diff_density_min         -1.015
_refine_diff_density_rms         0.088
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.041(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         6090
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.0486
_refine_ls_R_factor_gt           0.0423
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0394P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1046
_refine_ls_wR_factor_ref         0.1076
_reflns_number_gt                5308
_reflns_number_total             6090
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b512653c.txt
_cod_data_source_block           RhCl(cod)(Z_SerArs)_11
_cod_original_sg_symbol_Hall     P1
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7006658