Crystallography Open Database

Information card for entry 7129281

Preview

Coordinates	7129281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H49 Au4 Cl3 N2 O1.5 P2 S
Calculated formula	C47 H49 Au4 Cl3 N2 O1.5 P2 S
SMILES	[S]1([Au]23[N](=CN([Au]3Cl)c3c([P]([Au]Cl)(c4ccccc4)c4ccccc4)cccc3)c3c([P]([Au]2Cl)(c2ccccc2)c2ccccc2)cccc3)CCCC1.O1CCCC1.O1CCCC1
Title of publication	Tetra- and hexanuclear string complexes of the coinage metals
Authors of publication	Dahlen, Milena; Seifert, Tim P.; Lebedkin, Sergei; Gamer, Michael T.; Kappes, Manfred M.; Roesky, Peter W.
Journal of publication	Chemical Communications
Year of publication	2021
a	27.7643 ± 0.0013 Å
b	12.964 ± 0.0004 Å
c	31.9939 ± 0.0016 Å
α	90°
β	109.695 ± 0.004°
γ	90°
Cell volume	10842.1 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.1191
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.2077
Weighted residual factors for all reflections included in the refinement	0.2324
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation probe	x-ray
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
270812 (current)	2021-11-23	cif/ Adding structures of 7129281, 7129282, 7129283, 7129284 via cif-deposit CGI script.	7129281.cif