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Information card for entry 4117894
Preview
Coordinates | 4117894.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H20 Cl3 N2 Nb O2 |
---|---|
Calculated formula | C9 H20 Cl3 N2 Nb O2 |
SMILES | [Nb]1(Cl)(Cl)(Cl)([O](CC[O]1C)C)=NN1CCCCC1 |
Title of publication | Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States |
Authors of publication | Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 7301 - 7304 |
a | 6.8865 ± 0.0003 Å |
b | 12.1853 ± 0.0005 Å |
c | 18.5285 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1554.8 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0427 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.0417 |
Weighted residual factors for all reflections included in the refinement | 0.0425 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.31 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4117894.cif |
178949 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/78. |
4117894.cif |
75020 | 2013-03-05 | cif/ Adding structures of 4117894 via cif-deposit CGI script. |
4117894.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.