Crystallography Open Database

Information card for entry 7014429

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Coordinates	7014429.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(Acetonitrile)(dichloro)(nitrosyl)bis[tri(4-methylphenyl)]rhenium(I)
Formula	C44 H45 Cl2 N2 O P2 Re
Calculated formula	C44 H45 Cl2 N2 O P2 Re
Title of publication	Probing the catalytic potential of chloro nitrosyl rhenium(i) complexes
Authors of publication	Jiang, Yanfeng; Blacque, Olivier; Berke, Heinz
Journal of publication	Dalton Transactions
Year of publication	2011
Journal volume	40
Journal issue	11
Pages of publication	2578
a	10.8035 ± 0.0004 Å
b	12.528 ± 0.0005 Å
c	15.6262 ± 0.0006 Å
α	79.631 ± 0.003°
β	86.029 ± 0.003°
γ	75.399 ± 0.003°
Cell volume	2012.59 ± 0.14 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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