Crystallography Open Database

Information card for entry 8105461

Preview

Coordinates	8105461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H56 Au2 Cl2 Fe N4 O2 P2 S2
Calculated formula	C58 H56 Au2 Cl2 Fe N4 O2 P2 S2
Title of publication	Crystal structure of (μ2-1,1′-bis(diphenylphosphino)ferrocene-P,P′)-bis[(Z)-O-isopropyl N-(4-chlorophenyl)thiocarbamato-S]-di-gold(I) acetonitrile di-solvate, C54H50Au2Cl2FeN2O2P2S2⋅2(C2H3N)
Authors of publication	Yeo, Chien Ing; 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	1343 - 1345
a	8.5422 ± 0.0003 Å
b	13.2143 ± 0.0004 Å
c	14.0226 ± 0.0004 Å
α	65.764 ± 0.003°
β	78.311 ± 0.002°
γ	80.09 ± 0.003°
Cell volume	1406.39 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0241
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0461
Weighted residual factors for all reflections included in the refinement	0.0477
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
276167 (current)	2022-06-23	cif/ Adding structures of 8105461 via cif-deposit CGI script.	8105461.cif