Crystallography Open Database

Information card for entry 4087547

Preview

Coordinates	4087547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H27 Cl2 F6 N O Rh S Sb
Calculated formula	C33 H27 Cl2 F6 N O Rh S Sb
SMILES	[Rh]123456(c7c(c8[n]1cccc8)cccc7)[S](=O)(c1c([c]72[c]3([cH]4[c]25[c]67cccc2)C)c2c(cc1)cccc2)C.[Sb](F)(F)(F)(F)(F)[F-].ClCCl
Title of publication	Electronic Control of Metal-Centered Chirality in η5:κS-Indenyl-Sulfanyl and -Sulfinyl Rhodacycles of 2-Phenylpyridine
Authors of publication	Baker, Robert W.; Turner, Peter; Luck, Ian J.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	9
Pages of publication	1751
a	8.0569 ± 0.0003 Å
b	9.0206 ± 0.0003 Å
c	22.9236 ± 0.0008 Å
α	84.576 ± 0.002°
β	87.844 ± 0.002°
γ	76.751 ± 0.002°
Cell volume	1614.22 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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
236846 (current)	2019-11-24	cif/ Adding structures of 4087545, 4087546, 4087547, 4087548 via cif-deposit CGI script.	4087547.cif