Crystallography Open Database

Information card for entry 7039679

Preview

Coordinates	7039679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H112 Ag Cl2 F9 N5 O10.5 P2 S3
Calculated formula	C90.9996 H111.999 Ag Cl2 F9 N5 O10.4999 P2 S3
Title of publication	Cationic 5-phosphonio-substituted N-heterocyclic carbenes.
Authors of publication	Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	28
Pages of publication	11384 - 11396
a	17.14476 ± 0.00019 Å
b	17.1735 ± 0.0003 Å
c	18.09533 ± 0.00013 Å
α	98.7772 ± 0.0011°
β	101.643 ± 0.0008°
γ	97.9382 ± 0.0012°
Cell volume	5078.05 ± 0.12 Å³
Cell temperature	100.1 ± 0.3 K
Ambient diffraction temperature	100.1 ± 0.3 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.2157
Weighted residual factors for all reflections included in the refinement	0.2214
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185501 (current)	2016-08-07	cif/ Updating files of 7039669, 7039670, 7039671, 7039672, 7039673, 7039674, 7039675, 7039676, 7039677, 7039678, 7039679, 7039680, 7039681, 7039682 Original log message: Adding full bibliography for 7039669--7039682.cif.	7039679.cif
183925	2016-06-25	cif/ Adding structures of 7039669, 7039670, 7039671, 7039672, 7039673, 7039674, 7039675, 7039676, 7039677, 7039678, 7039679, 7039680, 7039681, 7039682 via cif-deposit CGI script.	7039679.cif