Crystallography Open Database

Information card for entry 4329613

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Coordinates	4329613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H39 Cl3 N P2 Rh
Calculated formula	C21 H39 Cl3 N P2 Rh
SMILES	[Rh](Cl)([P](CC)(CC)CC)([P](CC)(CC)CC)(Cl)(Cl)C#[N]c1c(cccc1C)C
Title of publication	Oxygen Reduction Reactions of Monometallic Rhodium Hydride Complexes
Authors of publication	Thomas S. Teets; Daniel G. Nocera
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7192 - 7201
a	20.1861 ± 0.0008 Å
b	10.3567 ± 0.0004 Å
c	12.9174 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2700.53 ± 0.18 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0203
Residual factor for significantly intense reflections	0.0183
Weighted residual factors for significantly intense reflections	0.0442
Weighted residual factors for all reflections included in the refinement	0.0457
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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