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Information card for entry 4321858
Preview
Coordinates | 4321858.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H27.5 N6 Ni O4.75 |
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Calculated formula | C38 H28 N6 Ni O5 |
Title of publication | Bivalent, Trivalent, and Tetravalent Nickel Complexes with a Common Tridentate Deprotonated Pyridine Bis-Amide Ligand. Molecular Structures of Nickel(II) and Nickel(IV) and Redox Activity |
Authors of publication | Apurba Kumar Patra; Rabindranath Mukherjee |
Journal of publication | Inorganic Chemistry |
Year of publication | 1999 |
Journal volume | 38 |
Pages of publication | 1388 - 1393 |
a | 14.874 ± 0.007 Å |
b | 13.3 ± 0.004 Å |
c | 16.604 ± 0.005 Å |
α | 90 ± 0.03° |
β | 99.68 ± 0.03° |
γ | 90 ± 0.03° |
Cell volume | 3238 ± 2 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.164 |
Residual factor for significantly intense reflections | 0.061 |
Weighted residual factors for all reflections | 0.159 |
Weighted residual factors for significantly intense reflections | 0.064 |
Goodness-of-fit parameter for all reflections | 1.984 |
Goodness-of-fit parameter for significantly intense reflections | 1.305 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoK-alpha |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4321858.cif |
120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321858.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321858.cif |
19700 | 2011-05-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4321858 via cif-deposit CGI script. |
4321858.cif |
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Users of the data should acknowledge the original authors of the
structural data.