Crystallography Open Database

Information card for entry 7044276

Preview

Coordinates	7044276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 Rh2 S4
Calculated formula	C32 H38 Rh2 S4
SMILES	c12c(cccc1)[S]1[Rh]3456([c]7([c]3([c]4([c]5([c]67C)C)C)C)C)(S2)[S]2c3c(cccc3)S[Rh]345612[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
Title of publication	Pseudo electron-deficient organometallics: limited reactivity towards electron-donating ligands
Authors of publication	Pitto-Barry, Anaïs; Lupan, Alexandru; Zegke, Markus; Swift, Thomas; Attia, Amr A. A.; Lord, Rianne M.; Barry, Nicolas P. E.
Journal of publication	Dalton Trans.
Year of publication	2017
a	8.0369 ± 0.0003 Å
b	10.5256 ± 0.0003 Å
c	10.8572 ± 0.0004 Å
α	61.544 ± 0.001°
β	69.296 ± 0.001°
γ	79.238 ± 0.002°
Cell volume	755.15 ± 0.05 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0324
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201056 (current)	2017-09-20	cif/ Adding structures of 7044276, 7044277, 7044278, 7044279 via cif-deposit CGI script.	7044276.cif