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Information card for entry 2022785
Preview
Coordinates | 2022785.cif |
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Structure factors | 2022785.hkl |
Original paper (by DOI) | HTML |
Chemical name | Tris(naphthalen-2-yl isocyanide)(η^4^-tetraphenylcyclopentadienone)iron acetone hemisolvate |
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Formula | C127 H88 Fe2 N6 O3 |
Calculated formula | C127 H88 Fe2 N6 O3 |
Title of publication | Cyclopentadienone triisocyanide iron complexes: general synthesis and crystal structures of tris(2,6-dimethylphenyl isocyanide)(η4-tetraphenylcyclopentadienone)iron and tris(naphthalen-2-yl isocyanide)(η4-tetraphenylcyclopentadienone)iron acetone hemisolvate |
Authors of publication | Bütikofer, André; Chen, Peter |
Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
Year of publication | 2023 |
Journal volume | 79 |
Journal issue | 7 |
a | 15.2471 ± 0.0001 Å |
b | 19.8604 ± 0.0001 Å |
c | 15.5785 ± 0.0001 Å |
α | 90° |
β | 99.378 ± 0.001° |
γ | 90° |
Cell volume | 4654.33 ± 0.05 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0388 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.0999 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
284691 (current) | 2023-06-29 | cif/ hkl/ Adding structures of 2022784, 2022785 via cif-deposit CGI script. |
2022785.cif 2022785.hkl |
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