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_4070305
_publ_section_title
;
 Rare-Earth-Metal/Platinum Heterobinuclear Complexes Containing Reactive
 Ln-alkyl groups (Ln = Y, Lu): Synthesis, Structural Characterization, and
 Reactivity
;
_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            'C37 H62 O P Pt Si2 Y'
_chemical_formula_weight         894.02
_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                 90.600(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5886(13)
_cell_length_b                   20.717(3)
_cell_length_c                   20.136(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    163
_cell_measurement_theta_max      18
_cell_measurement_theta_min      12
_cell_volume                     3999.7(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      163(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.1348
_diffrn_reflns_av_sigmaI/netI    0.3098
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            24626
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    5.063
_exptl_absorpt_correction_T_max  0.9055
_exptl_absorpt_correction_T_min  0.6314
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Parallelepiped
_exptl_crystal_F_000             1808
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.657
_refine_diff_density_min         -1.031
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.690
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         9038
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      0.692
_refine_ls_R_factor_all          0.1624
_refine_ls_R_factor_gt           0.0526
_refine_ls_shift/su_max          0.189
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0713
_refine_ls_wR_factor_ref         0.0862
_reflns_number_gt                3430
_reflns_number_total             9038
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900702y_si_003.cif
_cod_data_source_block           complex_4a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 
;
_cod_original_cell_volume        3999.6(9)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4070305