Group 5 Imido Complexes Derived from Diamido-Pyridine Ligands
Stephen M. Pugh; Alexander J. Blake; Lutz H. Gade; Philip Mountford; Inorganic Chemistry 40 (2001) 3992–4001; doi:10.1021/ic0102541

data_4320031
_publ_contact_author
;
Dr P. Mountford
Inorganic Chemistry Laboratory
South Parks Road
Oxford
OX1 3QR
UK
;
_publ_contact_author_email       Philip.Mountford@chem.ox.ac.uk
_publ_contact_author_fax         '+44 1865 272690'
_publ_contact_author_phone       '+44 1865 272679'
_publ_section_title
;
 Group 5 Imido Complexes Derived from Diamido-Pyridine Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3992
_journal_page_last               4001
_journal_paper_doi               10.1021/ic0102541
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         ' C24 H43 Cl1 N5 Nb1 Si2 '
_chemical_formula_sum            'C24 H43 Cl N5 Nb Si2'
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_chemical_name_systematic
;
[Nb(NBu-t){MeC(2-NC5H4)(CH2NSiMe3)2}Cl(py)]
;
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_computing_data_reduction
;
X-RED (Stoe & Cie, 1997b)
CRYSTALS (Watkin et al, 1996)
;
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CRYSTALS Issue 10 (Watkin et al, 1996)
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; Scan width (omega) = 1.07 - 1.39, scan ratio 2theta:omega = 1.00
 I(Net) and sigma(I) from profile fitting (Clegg, 1981)
;
_diffrn_radiation_collimation    '0.5 mm'
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_diffrn_reflns_limit_h_min       -2
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_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
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_refine_ls_R_factor_obs          0.0605
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_refine_ls_structure_factor_coef F
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_reflns_observed_criterion       >2.00\s(I)
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;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' 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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'unit weights' was changed to
'unit'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 

The following automatic conversions were performed:
data name '_contact_author_fax' replaced with
'_publ_contact_author_fax' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 4998 2017-03-02 13:24:31Z antanas 

The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'direct methods' was changed to
'direct'.

'_atom_sites_solution_hydrogens' value 'geometric' was changed to
'geom'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_cell_volume        5768.2(18)
_cod_original_sg_symbol_H-M      'P b c a '
_cod_original_formula_sum        ' C24 H43 Cl1 N5 Nb1 Si2 '
_cod_database_code               4320031