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Information card for entry 1519606
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Coordinates | 1519606.cif |
---|
Formula | C34 H62 Fe P4 |
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Calculated formula | C34 H62 Fe P4 |
SMILES | [Fe]12345678([c]9([c]2(P(C(C)C)C(C)C)[cH]4[cH]6[cH]19)P(C(C)C)C(C)C)[c]1([c]3(P(C(C)C)C(C)C)[cH]5[cH]7[cH]81)P(C(C)C)C(C)C |
Title of publication | C34H62FeP4 |
Authors of publication | Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2004 |
Pages of publication | 918 |
a | 10.0484 ± 0.0007 Å |
b | 12.2174 ± 0.001 Å |
c | 14.7534 ± 0.0019 Å |
α | 90° |
β | 100.896 ± 0.009° |
γ | 90° |
Cell volume | 1778.6 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0323 |
Residual factor for significantly intense reflections | 0.0263 |
Weighted residual factors for significantly intense reflections | 0.0624 |
Weighted residual factors for all reflections included in the refinement | 0.0651 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1519606.cif |
136214 | 2015-05-13 | cif/ Adding structures of 1519606 via cif-deposit CGI script. |
1519606.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.