Novel RhCp*/GaCp* and RhCp*/InCp* cluster complexes.
Steinke, Tobias; Gemel, Christian; Cokoja, Mirza; Winter, Manuela; Fischer, Roland A.; Dalton transactions (Cambridge, England : 2003)  (2005) 55–62; doi:10.1039/b408632e

data_7000029
_publ_section_title
;
 Novel RhCp*/GaCp* and RhCp*/InCp* cluster complexes.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              55
_journal_page_last               62
_journal_paper_doi               10.1039/b408632e
_journal_year                    2005
_chemical_formula_sum            'C30 H45 Cl3 Ga3 Rh'
_chemical_formula_weight         824.08
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 94.40(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.652(2)
_cell_length_b                   18.467(4)
_cell_length_c                   15.991(3)
_cell_measurement_reflns_used    2944
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.0468
_cell_measurement_theta_min      2.5446
_cell_volume                     3430.8(12)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.170.32 (release 06.06.2003 CrysAlis170 VC++)
(compiled Jun  6 2003,13:53:32)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.170.32 (release 06.06.2003 CrysAlis170 VC++)
(compiled Jun  6 2003,13:53:32)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.170.32 (release 06.06.2003 CrysAlis170 VC++)
(compiled Jun  6 2003,13:53:32)
;
_computing_molecular_graphics    SHELXL-97
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur2,Oxford Diffraction Ltd.'
_diffrn_measurement_method       'omega scans'
_diffrn_orient_matrix_UB_11      0.0577061007
_diffrn_orient_matrix_UB_12      -0.0125106677
_diffrn_orient_matrix_UB_13      0.0039304604
_diffrn_orient_matrix_UB_21      0.0196740495
_diffrn_orient_matrix_UB_22      0.0354783296
_diffrn_orient_matrix_UB_23      -0.0081243959
_diffrn_orient_matrix_UB_31      0.0032407821
_diffrn_orient_matrix_UB_32      0.0077634446
_diffrn_orient_matrix_UB_33      0.0435615600
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Sourc'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0863
_diffrn_reflns_av_sigmaI/netI    0.1113
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            23283
_diffrn_reflns_theta_full        25.06
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         3.15
_exptl_absorpt_coefficient_mu    3.054
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1656
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.584
_refine_diff_density_min         -0.573
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.921
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     390
_refine_ls_number_reflns         6060
_refine_ls_number_restraints     120
_refine_ls_restrained_S_all      0.942
_refine_ls_R_factor_all          0.0845
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.155
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0344P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.0999
_reflns_number_gt                3495
_reflns_number_total             6060
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b408632e.txt
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7000029