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Information card for entry 2242427
Preview
Coordinates | 2242427.cif |
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Structure factors | 2242427.hkl |
Original IUCr paper | HTML |
Chemical name | Chlorido(5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane)(phenylethynyl)cobalt(III) chloride‒acetonitrile‒methanol (1/1/1) |
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Formula | C23 H40 Cl2 Co N5 O |
Calculated formula | C23 H40 Cl2 Co N5 O |
Title of publication | Crystal structures of 5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane cobalt(III) mono-phenylacetylide and bis-phenylacetylide |
Authors of publication | Oxley, Benjamin M.; Mash, Brandon; Zeller, Matthias; Banziger, Susannah; Ren, Tong |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 4 |
Pages of publication | 522 - 529 |
a | 9.6903 ± 0.0013 Å |
b | 15.668 ± 0.002 Å |
c | 17.985 ± 0.002 Å |
α | 86.43 ± 0.005° |
β | 74.848 ± 0.004° |
γ | 88.97 ± 0.005° |
Cell volume | 2630.6 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.1142 |
Residual factor for significantly intense reflections | 0.0867 |
Weighted residual factors for significantly intense reflections | 0.2119 |
Weighted residual factors for all reflections included in the refinement | 0.241 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
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206944 (current) | 2018-03-14 | cif/ hkl/ Adding structures of 2242427, 2242428 via cif-deposit CGI script. |
2242427.cif 2242427.hkl |
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Users of the data should acknowledge the original authors of the
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