Niobium 1,4-diazabutadiene derivatives. Structure of (η^5^-Cp)NbCl~2~(^<i>t^</i>BuNCHCHN^<i>t^</i>Bu)
Hubert-Pfalzgraf, L. G.; Zaki, A.; Toupet, L.; Acta Crystallographica Section C 49 (1993) 1609–1611; doi:10.1107/S0108270193004494

data_2001376
_publ_section_title
;
 Niobium 1,4-diazabutadiene derivatives. Structure of
 (\h^5^-Cp)NbCl~2~(^<i>t^</i>BuNCHCHN^<i>t^</i>Bu)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1609
_journal_page_last               1611
_journal_paper_doi               10.1107/S0108270193004494
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C15 H25 Cl2 N2 Nb1'
_chemical_formula_sum            'C15 H25 Cl2 N2 Nb'
_chemical_formula_weight         379.2
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 107.31(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.888(4)
_cell_length_b                   13.827(3)
_cell_length_c                   13.307(6)
_cell_measurement_reflns_used    25
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_cell_measurement_theta_max      12
_cell_measurement_theta_min      9
_cell_volume                     1737.0(12)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0.15
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
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_exptl_absorpt_correction_type   'empirical, DIFABS (Walker & Stuart, 1983)'
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_refine_ls_structure_factor_coef F^2^
_refine_ls_weighting_details     'w = [\s^2^(I) + (0.04F~o~^2^)^2^]^-1/2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.028
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '[\s^2^(I) +
(0.04F~o~^2^)^2^]^-1/2^' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = [\s^2^(I) + (0.04F~o~^2^)^2^]^-1/2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1737.0(10)
_cod_original_formula_sum        'C15 H25 Cl2 N2 Nb1'
_cod_database_code               2001376