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Information card for entry 7045742
Preview
Coordinates | 7045742.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H35 Fe2 O8 P S2 |
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Calculated formula | C46 H35 Fe2 O8 P S2 |
Title of publication | Intramolecular stabilization of a catalytic [FeFe]-hydrogenase mimic investigated by experiment and theory. |
Authors of publication | Pandey, Indresh Kumar; Natarajan, Mookan; Faujdar, Hemlata; Hussain, Firasat; Stein, Matthias; Kaur-Ghumaan, Sandeep |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 14 |
Pages of publication | 4941 - 4949 |
a | 12.1078 ± 0.0005 Å |
b | 13.5576 ± 0.0006 Å |
c | 14.6711 ± 0.0006 Å |
α | 72.688 ± 0.004° |
β | 67.446 ± 0.004° |
γ | 82.128 ± 0.004° |
Cell volume | 2122.64 ± 0.17 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0571 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for significantly intense reflections | 0.0857 |
Weighted residual factors for all reflections included in the refinement | 0.0911 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
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/7045742.html
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