Crystallography Open Database

Information card for entry 4108285

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Coordinates	4108285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 Cl O Rh S
Calculated formula	C38 H40 Cl O Rh S
Title of publication	Reversible Heterolysis of H2 Mediated by an M-S(Thiolate) Bond (M = Ir, Rh): A Mechanistic Implication for [NiFe] Hydrogenase
Authors of publication	Yasuhiro Ohki; Mayumi Sakamoto; Kazuyuki Tatsumi
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	11610 - 11611
a	11.3944 ± 0.0019 Å
b	11.658 ± 0.002 Å
c	13.423 ± 0.003 Å
α	84.368 ± 0.004°
β	84.664 ± 0.005°
γ	78.034 ± 0.005°
Cell volume	1731.1 ± 0.6 Å³
Cell temperature	173.1 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 significantly intense reflections	0.0466
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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