[Nb(CH~2~SiMe~3~)(OC~6~H~3~Ph~2~-2,6)(μ-CSiMe~3~)]~2~
Torrez, E.; Profilet, R. D.; Fanwick, P. E.; Rothwell, I. P.; Acta Crystallographica Section C 50 (1994) 902–904; doi:10.1107/S0108270193011758

data_2009813
_publ_section_title
;
 [Nb(CH~2~SiMe~3~)(OC~6~H~3~Ph~2~-2,6)(\m-CSiMe~3~)]~2~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              902
_journal_page_last               904
_journal_paper_doi               10.1107/S0108270193011758
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C52 H66 Nb2 O2 Si4'
_chemical_formula_sum            'C52 H66 Nb2 O2 Si4'
_chemical_formula_weight         1021.26
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           'Cromer & Waber (1974)'
_cell_angle_alpha                90.
_cell_angle_beta                 112.70(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   11.785(4)
_cell_length_b                   19.408(2)
_cell_length_c                   12.476(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      21
_cell_measurement_theta_min      17
_cell_volume                     2632.5(16)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3603
_diffrn_reflns_theta_max         45
_diffrn_standards_decay_%        +-<3
_diffrn_standards_interval_time  83.33
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.54
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.49
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.52
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.37
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.225
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     271
_refine_ls_number_reflns         2382
_refine_ls_R_factor_obs          0.035
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^F + (0.02F)^2^+1 - F]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.041
_reflns_number_observed          2382
_reflns_number_total             3603
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            st1065.cif
_cod_data_source_block           st1065_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^F + (0.02F)^2^+1 - F]'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\s^2^F +
(0.02F)^2^+1 - F]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2632(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009813