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Information card for entry 1551886
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Coordinates | 1551886.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | abelsonite |
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Mineral name | abelsonite |
Formula | C31 H32 N4 Ni |
Calculated formula | C31 H32 N4 Ni |
Title of publication | Crystal structure of abelsonite, the only known crystalline geoporphyrin |
Authors of publication | Daniel R. Hummer; Bruce C. Noll; Robert M. Hazen; Robert T. Downs |
Journal of publication | American Mineralogist |
Year of publication | 2017 |
Journal volume | 102 |
Pages of publication | 1129 - 1132 |
a | 8.4416 ± 0.0005 Å |
b | 10.8919 ± 0.0007 Å |
c | 7.2749 ± 0.0004 Å |
α | 90.465 ± 0.002° |
β | 113.158 ± 0.002° |
γ | 78.08 ± 0.002° |
Cell volume | 599.74 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0514 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.0942 |
Weighted residual factors for all reflections included in the refinement | 0.1019 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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216528 (current) | 2019-06-25 | cif/ Adding structures of 1551886 via cif-deposit CGI script. |
1551886.cif |
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Users of the data should acknowledge the original authors of the
structural data.