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Information card for entry 7130573
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7130573.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H29 Fe N |
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Calculated formula | C33 H29 Fe N |
SMILES | [Fe]123456789[c]%10(C([C]N([c]%115[cH]6[cH]7[cH]8[cH]9%11)c5c(cc(cc5C)C)C)(c5ccccc5)c5ccccc5)[cH]1[cH]2[cH]3[cH]4%10 |
Title of publication | A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone |
Authors of publication | Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 9.6742 ± 0.0015 Å |
b | 16.056 ± 0.003 Å |
c | 15.509 ± 0.003 Å |
α | 90° |
β | 90.684 ± 0.013° |
γ | 90° |
Cell volume | 2408.8 ± 0.7 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1251 |
Residual factor for significantly intense reflections | 0.0797 |
Weighted residual factors for significantly intense reflections | 0.179 |
Weighted residual factors for all reflections included in the refinement | 0.2101 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54186 Å |
Diffraction radiation type | CuKα |
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/7130573.html
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