Crystallography Open Database

Information card for entry 7154937

Preview

Coordinates	7154937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H29 Cl F6 N4 P Rh
Calculated formula	C21 H29 Cl F6 N4 P Rh
SMILES	C12n(C=CN1CCCC)c1nccc[n]1[Rh]1345=2([c]2([c]1([c]3([c]4([c]52C)C)C)C)C)Cl.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.
Authors of publication	Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	8
Pages of publication	2550 - 2555
a	14.8991 ± 0.0004 Å
b	15.3359 ± 0.0005 Å
c	22.4136 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5121.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
177920 (current)	2016-03-05	cif/ Updating files of 7154935, 7154936, 7154937 Original log message: Adding full bibliography for 7154935--7154937.cif.	7154937.cif
174837	2016-01-23	cif/ Adding structures of 7154935, 7154936, 7154937 via cif-deposit CGI script.	7154937.cif