Crystallography Open Database

Information card for entry 1546791

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Structure parameters

Chemical name	(Thiocyanato-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I)
Formula	C55 H45 Ag N P3 S
Calculated formula	C55 H45 Ag N P3 S
SMILES	[Ag](SC#N)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	(Thiocyanato-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I)
Authors of publication	Nimthong-Roldán, Arunpatcha; Sripa, Paramee; Romyen, Monpariya; Wattanakanjana, Yupa
Journal of publication	IUCrData
Year of publication	2017
Journal volume	2
Journal issue	8
Pages of publication	x171185
a	18.1884 ± 0.001 Å
b	13.5886 ± 0.0007 Å
c	18.3224 ± 0.001 Å
α	90°
β	94.711 ± 0.002°
γ	90°
Cell volume	4513.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
199879 (current)	2017-08-22	cif/ hkl/ Adding structures of 1546791 via cif-deposit CGI script.	1546791.cif 1546791.hkl