The Anions [Cptt2Zr(μ-S)2M(CO)2]-(M = Rh, Ir) as Versatile Precursors for the Synthesis of Sulfido-Bridged Early−Late Heterotrimetallic (ELHT) Compounds†
Hernandez-Gruel, Marc A. F.; Dobrinovitch, Isabel T.; Lahoz, Fernando J.; Oro, Luis A.; Pérez-Torrente, Jesús J.; Organometallics 26 (2007) 6437–; doi:10.1021/om700749n

data_4073938
_publ_section_title
;
 The Anions [Cptt2Zr(\m-S)2M(CO)2]-(M = Rh, Ir) as Versatile Precursors
 for the Synthesis of Sulfido-Bridged Early&#x2212;Late Heterotrimetallic
 (ELHT) Compounds&#x2020;
;
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6437
_journal_paper_doi               10.1021/om700749n
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C62 H72 Au2 P2 S2 Zr'
_chemical_formula_sum            'C62 H72 Au2 P2 S2 Zr'
_chemical_formula_weight         1428.41
_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                 96.2520(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3440(7)
_cell_length_b                   38.998(3)
_cell_length_c                   13.9883(9)
_cell_measurement_reflns_used    7012
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.22
_cell_measurement_theta_min      2.33
_cell_volume                     5609.3(7)
_computing_cell_refinement       'SAINT+ v. 6.01 (Bruker AXS, 2000)'
_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_data_reduction        'SAINT+ v. 6.01 (Bruker AXS, 2000)'
_computing_molecular_graphics    'XP program, SHELXTL v 6.12, Bruker2001'
_computing_publication_material  'XP program, SHELXTL v 6.12, Bruker2001'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.919
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       '\w rotations with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_av_sigmaI/netI    0.0928
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            40793
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         28.68
_diffrn_reflns_theta_min         1.80
_diffrn_standards_decay_%        'no decay'
_exptl_absorpt_coefficient_mu    5.570
_exptl_absorpt_correction_T_max  0.408
_exptl_absorpt_correction_T_min  0.298
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS: Area-Detector Absorption Correction. (1996)  Bruker-AXS 
 within SAINT+ package, v. 6.01.          
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2816
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.168
_refine_diff_density_min         -1.549
_refine_diff_density_rms         0.211
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.917
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     634
_refine_ls_number_reflns         13280
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.917
_refine_ls_R_factor_all          0.0643
_refine_ls_R_factor_gt           0.0439
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0044P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0561
_refine_ls_wR_factor_ref         0.0594
_reflns_number_gt                9380
_reflns_number_total             13280
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om700749n-file001.cif
_cod_data_source_block           compd_12
_cod_original_cell_volume        5609.2(7)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4073938