Crystallography Open Database

Information card for entry 8105498

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Coordinates	8105498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H39 Ag Cl N O P2 S
Calculated formula	C44 H39 Ag Cl N O P2 S
SMILES	[Ag](Cl)([S]=C(OC)Nc1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Crystal structure of chlorido-(O-methyl phenylcarbamothioamide-κS)-bis(triphenylphosphane-κP)silver(I), C44H39AgClNOP2S
Authors of publication	Yeo, Chien Ing; Teow, Sin-Yeang; Liew, Li Yuan; Chew, Jactty; 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	1473 - 1475
a	10.252 ± 0.0003 Å
b	13.2252 ± 0.0004 Å
c	14.9378 ± 0.0003 Å
α	78.424 ± 0.002°
β	78.388 ± 0.002°
γ	84.534 ± 0.003°
Cell volume	1940.35 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
276229 (current)	2022-06-24	cif/ Adding structures of 8105498 via cif-deposit CGI script.	8105498.cif