[(silox)(3)M](2)(mu:eta(1),eta(1)-P(2)) (M = Nb, Ta) and [(silox)(3)Nb](2){mu:eta(2),eta(2)-((c)P(3)-(c)P(3))} from (silox)(3)M (M = NbPMe(3), Ta) and P(4) (silox = (t)Bu(3)SiO).
Hulley, Elliott B; Wolczanski, Peter T; Lobkovsky, Emil B; Chemical communications (Cambridge, England)  (2009) 6412–6414; doi:10.1039/b911275h

data_7104956
_publ_section_title
;
 [(silox)(3)M](2)(mu:eta(1),eta(1)-P(2)) (M = Nb, Ta) and
 [(silox)(3)Nb](2){mu:eta(2),eta(2)-((c)P(3)-(c)P(3))} from (silox)(3)M
 (M = NbPMe(3), Ta) and P(4) (silox = (t)Bu(3)SiO).
;
_journal_issue                   42
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              6412
_journal_page_last               6414
_journal_paper_doi               10.1039/b911275h
_journal_year                    2009
_chemical_formula_moiety         'C72 H162 Nb2 O6 P6 Si6'
_chemical_formula_sum            'C72 H162 Nb2 O6 P6 Si6'
_chemical_formula_weight         1664.20
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 103.448(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   33.163(2)
_cell_length_b                   13.0037(9)
_cell_length_c                   22.9736(15)
_cell_measurement_reflns_used    9995
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.37
_cell_volume                     9635.6(11)
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT+'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker X8 APEX II diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0916
_diffrn_reflns_av_sigmaI/netI    0.0643
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            52990
_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    0.453
_exptl_absorpt_correction_T_max  0.9777
_exptl_absorpt_correction_T_min  0.8952
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.147
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3592
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.741
_refine_diff_density_min         -1.227
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         6930
_refine_ls_number_restraints     392
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.1236
_refine_ls_R_factor_gt           0.1095
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+550.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2526
_refine_ls_wR_factor_ref         0.2584
_reflns_number_gt                5781
_reflns_number_total             6930
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b911275h.txt
_cod_data_source_block           eh6
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7104956