Crystallography Open Database

Information card for entry 1547215

Preview

Coordinates	1547215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H46 N O2 P S2
Calculated formula	C24 H46 N O2 P S2
SMILES	S=P([S-])(O[C@@H]1[C@@]2(CC[C@H](C1(C)C)C2)C)O[C@@H]1[C@@]2(CC[C@H](C1(C)C)C2)C.[NH3+]C(C)(C)C
Title of publication	Novel Gold(I) and Silver(I) Complexes of Phosphorus-1,1,-dithiolates and Molecular Structure of [O,O'-(Bornyl)2PS2]H3NC(CH3)3
Authors of publication	Samet Solak; Cemal Aydemir; Mehmet Karakus; Peter Lonnecke
Journal of publication	Chemistry Central Journal
Year of publication	2013
Journal volume	7
Pages of publication	89
a	10.2944 ± 0.0001 Å
b	13.6664 ± 0.0002 Å
c	19.4983 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2743.16 ± 0.06 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
200980 (current)	2017-09-18	cif/ Adding structures of 1547215 via cif-deposit CGI script.	1547215.cif