Tetrakis(dimethylamido)vanadium(IV)
Dubberley, Stuart R.; Tyrrell, Ben R.; Mountford, Philip; Acta Crystallographica Section C 57 (2001) 902–904; doi:10.1107/S0108270101008368

data_2012136
_publ_section_title
;
 Tetrakis(dimethylamido)vanadium(IV)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              902
_journal_page_last               904
_journal_paper_doi               10.1107/S0108270101008368
_journal_volume                  57
_journal_year                    2001
_chemical_formula_moiety         ' C8 H24 N4 V1 '
_chemical_formula_sum            'C8 H24 N4 V'
_chemical_formula_weight         227.25
_chemical_name_systematic
;
 Tetrakis(dimethylamido)vanadium
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.6616(10)
_cell_angle_beta                 79.4036(11)
_cell_angle_gamma                84.9664(9)
_cell_formula_units_Z            4
_cell_length_a                   8.2903(2)
_cell_length_b                   12.0158(2)
_cell_length_c                   13.8350(3)
_cell_measurement_reflns_used    5348
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      1.00
_cell_volume                     1311.18(5)
_computing_cell_refinement       DENZO
_computing_data_collection       'Kappa-CCD software COLLECT (Nonius, 2000)'
_computing_data_reduction        'DENZO (Otwinowski & Minor, 1997)'
_computing_molecular_graphics
'CAMERON (Watkin,  Prout & Pearce et al., 1996)'
_computing_publication_material  CRYSTALS
_computing_structure_refinement  'CRYSTALS (Watkin, Prout et al., 1996)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full .98
_diffrn_measured_fraction_theta_max .98
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       CCD
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .02
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10654
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.00
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    .73
_exptl_absorpt_correction_T_max  .864
_exptl_absorpt_correction_T_min  .864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(DENZO; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.151
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             492
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .20
_refine_diff_density_max         .71
_refine_diff_density_min         -.83
_refine_ls_extinction_coef       none
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_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5883
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           .0325
_refine_ls_shift/su_max          .006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Chebychev polynomial with 5 parameters, (Carruthers & Watkin, 1979),
0.895 0.532 0.456 -.541E-01 -.147
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0431
_reflns_number_gt                4773
_reflns_number_total             5886
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gg1056.cif
_cod_data_source_block           I
_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 

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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C8 H24 N4 V1'
_cod_database_code               2012136