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Information card for entry 7247163
Preview
Coordinates | 7247163.cif |
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Original paper (by DOI) | HTML |
Common name | 2,3,4,5,6-pentafluorobenzoate-tin-tetraiodoporphrin |
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Formula | C58 H24 F10 I4 N4 O4 Sn |
Calculated formula | C58 H24 F10 I4 N4 O4 Sn |
Title of publication | Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis |
Authors of publication | Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 35 |
Pages of publication | 4946 - 4959 |
a | 8.1405 ± 0.0002 Å |
b | 12.0603 ± 0.0003 Å |
c | 14.974 ± 0.0004 Å |
α | 70.718 ± 0.002° |
β | 85.026 ± 0.002° |
γ | 83.285 ± 0.002° |
Cell volume | 1376.3 ± 0.06 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0496 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.1011 |
Weighted residual factors for all reflections included in the refinement | 0.1057 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
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/7247163.html
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Users of the data should acknowledge the original authors of the
structural data.