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Information card for entry 8103197
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Coordinates | 8103197.cif |
---|
Formula | C14 H42 Cr N6 Ni O8 |
---|---|
Calculated formula | C14 H42 Cr N6 Ni O8 |
Title of publication | Crystal structure of catena-(?2-chromato-O,O')-3,10-bis-n-propyl-1,3,5,8,10,12-hexaazacyclo-tetradecane-nickel(II) tetrahydrate, Ni(C14H34N6)(CrO4) • 4H2O |
Authors of publication | Guang-Chuan Ou; Long-Sheng Zou; Zhi-Hui Yuan |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2011 |
Journal volume | 226 |
Journal issue | 4 |
Pages of publication | 543 |
a | 10.507 ± 0.003 Å |
b | 10.72 ± 0.003 Å |
c | 12.222 ± 0.004 Å |
α | 89.232 ± 0.006° |
β | 70.67 ± 0.006° |
γ | 69.433 ± 0.005° |
Cell volume | 1208 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0721 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1119 |
Weighted residual factors for all reflections included in the refinement | 0.1359 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8103197.cif |
176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103197.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103197.cif |
32539 | 2012-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 8103197 via cif-deposit CGI script. |
8103197.cif |
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Users of the data should acknowledge the original authors of the
structural data.