Crystallography Open Database

Information card for entry 8105499

Preview

Coordinates	8105499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H41 Ag Cl N O P2 S
Calculated formula	C45 H41 Ag Cl N O P2 S
SMILES	[Ag](Cl)([S]=C(OCC)Nc1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Crystal structure of chlorido-(O-ethyl phenylcarbamothioamide-κS)-bis(triphenylphosphane-κP)-silver(I), C45H41AgClNOP2S
Authors of publication	Yeo, Chien Ing; Liew, Li Yuan; Chew, Jactty; Teow, Sin-Yeang; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1477 - 1480
a	10.193 ± 0.0003 Å
b	18.3087 ± 0.0006 Å
c	21.3088 ± 0.0006 Å
α	90°
β	94.516 ± 0.003°
γ	90°
Cell volume	3964.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
276230 (current)	2022-06-24	cif/ Adding structures of 8105499 via cif-deposit CGI script.	8105499.cif