Rare-Earth-Metal/Platinum Heterobinuclear Complexes Containing Reactive Ln-alkyl groups (Ln = Y, Lu): Synthesis, Structural Characterization, and Reactivity
Nakajima, Yumiko; Hou, Zhaomin; Organometallics 28 (2009) 6861–; doi:10.1021/om900702y

data_4070306
_publ_section_title
;
 Rare-Earth-Metal/Platinum Heterobinuclear Complexes Containing Reactive
 Ln-alkyl groups (Ln = Y, Lu): Synthesis, Structural Characterization, and
 Reactivity
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_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              6861
_journal_paper_doi               10.1021/om900702y
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C30 H36 P2 Pt Si'
_chemical_formula_weight         681.71
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3220(14)
_cell_length_b                   17.025(2)
_cell_length_c                   14.8474(19)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      18
_cell_measurement_theta_min      12
_cell_volume                     2861.9(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'Rigaku AFC-8'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  SHELXTL-98
_computing_structure_refinement  SHELXTL-98
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0508
_diffrn_reflns_av_sigmaI/netI    0.0186
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            69263
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    5.073
_exptl_absorpt_correction_T_max  0.8578
_exptl_absorpt_correction_T_min  0.8013
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
'Multi-scan Higashi, T. (1999). Numabs - Numerical Absorption Correction, Rigaku Corporation, Tokyo, Japan (1999).'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Parallelepiped
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.585
_refine_diff_density_min         -1.844
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.196
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     157
_refine_ls_number_reflns         4180
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.196
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0565
_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^)+(0.0488P)^2^+9.7849P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1227
_refine_ls_wR_factor_ref         0.1295
_reflns_number_gt                3452
_reflns_number_total             4180
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900702y_si_004.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'Orthorombic' was replaced with
'orthorhombic' value as specified in the replacement file
'/home/robertas/cod-tools/perl-scripts/inputs/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2862.0(6)
_cod_original_sg_symbol_H-M      Pbcn
_cod_database_code               4070306