Reactivity of [Zn2Cp*2] toward Transition-Metal Complexes: Synthesis and Characterization of [Cp*M(ZnCp*)3] (M = Ni, Pd, Pt)
Bollermann, Timo; Freitag, Kerstin; Gemel, Christian; Seidel, Rüdiger W.; Fischer, Roland A.; Organometallics 30 (2011) 4123–; doi:10.1021/om200430t

data_4064930
_publ_section_title
;
 Reactivity of [Zn2Cp*2] toward Transition-Metal Complexes: Synthesis and
 Characterization of [Cp*M(ZnCp*)3] (M = Ni, Pd, Pt)
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              4123
_journal_paper_doi               10.1021/om200430t
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C40 H60 Pt Zn3'
_chemical_formula_sum            'C40 H60 Pt Zn3'
_chemical_formula_weight         932.08
_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                89.836(4)
_cell_angle_beta                 84.948(4)
_cell_angle_gamma                87.393(4)
_cell_formula_units_Z            6
_cell_length_a                   11.0373(5)
_cell_length_b                   17.2860(9)
_cell_length_c                   30.5800(15)
_cell_measurement_reflns_used    4462
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      28.3707
_cell_measurement_theta_min      2.8240
_cell_volume                     5805.7(5)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_publication_material  'enCIFer (Allen, et al. 2004)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 8.4171
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur^TM^2, Oxford Diffraction'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0818
_diffrn_reflns_av_sigmaI/netI    0.1637
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            36093
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.83
_exptl_absorpt_coefficient_mu    5.465
_exptl_absorpt_correction_T_max  0.6390
_exptl_absorpt_correction_T_min  0.5369
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2808
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         8.648
_refine_diff_density_min         -2.129
_refine_diff_density_rms         0.325
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.178
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1119
_refine_ls_number_reflns         20399
_refine_ls_number_restraints     786
_refine_ls_restrained_S_all      1.161
_refine_ls_R_factor_all          0.1663
_refine_ls_R_factor_gt           0.1011
_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^)+(0.0908P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2139
_refine_ls_wR_factor_ref         0.2509
_reflns_number_gt                12401
_reflns_number_total             20399
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200430t_si_001.cif
_cod_data_source_block           2
_cod_database_code               4064930