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Information card for entry 4314191
Preview
Coordinates | 4314191.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Fe(TPP)(NO)(4-NMe2Py)] |
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Formula | C51 H38 Fe N7 O |
Calculated formula | C51 H38 Fe N7 O |
SMILES | [Fe]123(n4c5=C(c6[n]3c(=C(c3n2c(cc3)C(=c2[n]1c(cc2)C(=c4cc5)c1ccccc1)c1ccccc1)c1ccccc1)cc6)c1ccccc1)(N=O)[n]1ccc(cc1)N(C)C |
Title of publication | Five- to Six-Coordination in (Nitrosyl)iron(II) Porphyrinates: Effects of Binding the Sixth Ligand |
Authors of publication | Graeme R. A. Wyllie; Charles E. Schulz; W. Robert Scheidt |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 5722 - 5734 |
a | 10.8807 ± 0.0007 Å |
b | 11.142 ± 0.0007 Å |
c | 17.1221 ± 0.001 Å |
α | 90.19 ± 0.001° |
β | 93.113 ± 0.001° |
γ | 105.613 ± 0.001° |
Cell volume | 1995.9 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0632 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.1106 |
Weighted residual factors for all reflections included in the refinement | 0.1196 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4314191.html
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