Crystallography Open Database

Information card for entry 8104660

Preview

Coordinates	8104660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H38 N2 O3 P Rh
Calculated formula	C25 H38 N2 O3 P Rh
SMILES	[Rh]1([O]=NN(O1)c1ccccc1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)C#[O]
Title of publication	Crystal structure of monocarbonyl(N-nitroso-N-oxido-phenylamine-κ 2 O,O′)(tricyclohexylphosphine-κP)rhodium(I), C25H39N2O3PRh
Authors of publication	Alexander, Orbett T.; Venter, Johan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	5
Pages of publication	1039 - 1041
a	13.505 ± 0.005 Å
b	14.226 ± 0.005 Å
c	13.405 ± 0.005 Å
α	90°
β	91.28°
γ	90°
Cell volume	2574.8 ± 1.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273488 (current)	2022-03-07	cif/ Adding structures of 8104660 via cif-deposit CGI script.	8104660.cif