Germylene and Silylene Complexes of Molybdenum via E-H (E = Ge, Si) Bond Activations: Steric Influences on Intramolecular MoH...E Interactions
Akihiro Shinohara; Jennifer McBee; T. Don Tilley; Inorganic Chemistry 48 (2009) 8081–8083; doi:10.1021/ic901168s

data_4303106
_publ_section_title
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Germylene and Silylene Complexes of Molybdenum via E-H (E = Ge, Si) Bond
Activations: Steric Influences on Intramolecular MoH...E Interactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8081
_journal_page_last               8083
_journal_paper_doi               10.1021/ic901168s
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C28 H42 Ge Mo P2'
_chemical_formula_sum            'C28 H42 Ge Mo P2'
_chemical_formula_weight         609.09
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                88.660(3)
_cell_angle_beta                 83.881(3)
_cell_angle_gamma                80.471(3)
_cell_formula_units_Z            4
_cell_length_a                   8.949(2)
_cell_length_b                   10.818(3)
_cell_length_c                   29.663(7)
_cell_measurement_reflns_used    4575
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      26.33
_cell_measurement_theta_min      3.26
_cell_volume                     2815.9(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.904
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       q-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            21941
_diffrn_reflns_theta_full        26.44
_diffrn_reflns_theta_max         26.44
_diffrn_reflns_theta_min         3.27
_exptl_absorpt_coefficient_mu    1.640
_exptl_absorpt_correction_T_max  0.89
_exptl_absorpt_correction_T_min  0.80
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs, 2004'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          .40
_exptl_crystal_size_mid          .11
_exptl_crystal_size_min          .07
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_refine_diff_density_min         -2.179
_refine_diff_density_rms         0.092
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     593
_refine_ls_number_reflns         10485
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_refine_ls_restrained_S_all      1.262
_refine_ls_R_factor_all          0.0598
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_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^)+(0.0400P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1047
_refine_ls_wR_factor_ref         0.1075
_reflns_number_gt                7917
_reflns_number_total             10485
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901168s_si_002.cif
_cod_data_source_block           aki6m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2816.0(12)
_cod_database_code               4303106