Crystallography Open Database

Information card for entry 4107474

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Coordinates	4107474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H68 B Cl2 F24 Ge P Ru S
Calculated formula	C85 H68 B Cl2 F24 Ge P Ru S
Title of publication	A Functional Hydrogenase Model: Reversible Interconversion of H2 and H2O by a Hydroxo/Sulfido-Bridged Dinuclear Ruthenium-Germanium Complex
Authors of publication	Tsuyoshi Matsumoto; Yukiko Nakaya; Naohisa Itakura; Kazuyuki Tatsumi
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	2458 - 2459
a	15.8848 ± 0.0014 Å
b	16.5788 ± 0.0011 Å
c	16.9656 ± 0.0013 Å
α	90.6916 ± 0.0018°
β	108.532 ± 0.003°
γ	106.966 ± 0.003°
Cell volume	4024.7 ± 0.6 Å³
Cell temperature	173.1 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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