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Information card for entry 4307720
Preview
Coordinates | 4307720.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C71 H66 B22 Cl22 N4 Zn0.05 |
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Calculated formula | C71 H66 B22 Cl22 N4 Zn0.046 |
Title of publication | Do Sitting-Atop Metalloporphyrin Complexes Exist? Observation of N-H—π Bonding in Arene Solvates of a Diprotonated Porphyrin Dication |
Authors of publication | J. Luis Gárate-Morales; Fook S. Tham; Christopher A. Reed |
Journal of publication | Inorganic Chemistry |
Year of publication | 2007 |
Journal volume | 46 |
Pages of publication | 1514 - 1516 |
a | 14.512 ± 0.0015 Å |
b | 15.8141 ± 0.0017 Å |
c | 19.71 ± 0.002 Å |
α | 87.025 ± 0.002° |
β | 82.28 ± 0.002° |
γ | 87.631 ± 0.002° |
Cell volume | 4473.6 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1106 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.1109 |
Weighted residual factors for all reflections included in the refinement | 0.134 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/4307720.html
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