Different transmetallation behaviour of [M(P4HR4)] salts toward rhodium(i) and copper(i) (M = Na, K; R = Ph, Mes; Mes = 2,4,6-Me3C6H2)
Gómez-Ruiz, Santiago; Wolf, Robert; Hey-Hawkins, Evamarie; Dalton Transactions  (2008) 1982–1988; doi:10.1039/b718727k

data_7003688
_publ_section_title
;
 Different transmetallation behaviour of [M(P4HR4)] salts toward
 rhodium(i) and copper(i) (M = Na, K; R = Ph, Mes; Mes = 2,4,6-Me3C6H2)
;
_journal_issue                   15
_journal_name_full               'Dalton Transactions'
_journal_page_first              1982
_journal_page_last               1988
_journal_paper_doi               10.1039/b718727k
_journal_year                    2008
_chemical_formula_sum            'C47 H67 O P3 Rh2'
_chemical_formula_weight         946.74
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2007-09-11T19:53:50-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                74.908(5)
_cell_angle_beta                 84.544(5)
_cell_angle_gamma                67.189(5)
_cell_formula_units_Z            2
_cell_length_a                   12.627(5)
_cell_length_b                   12.941(5)
_cell_length_c                   15.604(5)
_cell_measurement_reflns_used    10112
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      32.2645
_cell_measurement_theta_min      2.5949
_cell_volume                     2269.2(15)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_molecular_graphics    'ORTEP3 for Windows (L. J. Farrugia, 1997)'
_computing_publication_material  'WINGX (L.J. Farrugia,1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick,1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.356
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'ccd xcalibur s'
_diffrn_measurement_method       '\w scans and \f scans'
_diffrn_orient_matrix_UB_11      -0.0158626437
_diffrn_orient_matrix_UB_12      -0.0352758704
_diffrn_orient_matrix_UB_13      0.0375449688
_diffrn_orient_matrix_UB_21      0.0322046582
_diffrn_orient_matrix_UB_22      0.0126478886
_diffrn_orient_matrix_UB_23      0.0276728295
_diffrn_orient_matrix_UB_31      -0.0490112743
_diffrn_orient_matrix_UB_32      0.0483404813
_diffrn_orient_matrix_UB_33      0.005681452
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0582
_diffrn_reflns_av_unetI/netI     0.0915
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            35456
_diffrn_reflns_theta_full        27.1
_diffrn_reflns_theta_max         27.1
_diffrn_reflns_theta_min         2.61
_exptl_absorpt_coefficient_mu    0.866
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.951
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May 8 2007,13:10:02)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.386
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'very thin plates'
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.156
_refine_diff_density_min         -0.866
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     471
_refine_ls_number_reflns         9985
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0904
_refine_ls_R_factor_gt           0.0495
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1022P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.153
_refine_ls_wR_factor_ref         0.1728
_reflns_number_gt                6302
_reflns_number_total             9985
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b718727k.txt
_cod_data_source_block           x0285fin
_cod_original_cell_volume        2269.3(15)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7003688