Crystallography Open Database

Information card for entry 1545280

Preview

Coordinates	1545280.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PNPRh(C2F4)
Chemical name	PNPRh(C2F4)
Formula	C28 H40 F4 N P2 Rh
Calculated formula	C28 H40 F4 N P2 Rh
SMILES	[Rh]123([P](C(C)C)(C(C)C)c4c([N]2c2c([P]1(C(C)C)C(C)C)cc(cc2)C)ccc(C)c4)[C](F)(F)=[C]3(F)F
Title of publication	Fluorocarbene, fluoroolefin, and fluorocarbyne complexes of Rh
Authors of publication	Pell, Christopher J.; Zhu, Yanjun; Huacuja, Rafael; Herbert, David E.; Hughes, Russell P.; Ozerov, Oleg V.
Journal of publication	Chem. Sci.
Year of publication	2017
Journal volume	8
Journal issue	4
Pages of publication	3178
a	22.851 ± 0.007 Å
b	9.929 ± 0.003 Å
c	16.292 ± 0.008 Å
α	90°
β	131.487 ± 0.002°
γ	90°
Cell volume	2769 ± 1.8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
195007 (current)	2017-04-05	cif/ Updating files of 1545280, 1545281, 1545282 Original log message: Adding full bibliography for 1545280--1545282.cif.	1545280.cif
192209	2017-02-17	cif/ Adding structures of 1545280, 1545281, 1545282 via cif-deposit CGI script.	1545280.cif