Crystallography Open Database

Information card for entry 7717094

Preview

Coordinates	7717094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 Cl F3 N3 O5 Rh S
Calculated formula	C21 H22 Cl F3 N3 O5 Rh S
Title of publication	Redox properties of [Cp*Rh] complexes supported by mono-substituted 2,2'-bipyridyl ligands.
Authors of publication	Stiel, Jonah P.; Henke, Wade C.; Moore, William N. G.; Barker, Nathaniel M.; Oliver, Allen G.; Day, Victor W.; Blakemore, James D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	41
Pages of publication	16956 - 16965
a	15.898 ± 0.003 Å
b	22.527 ± 0.005 Å
c	13.676 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4897.8 ± 1.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0935
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.1534
Goodness-of-fit parameter for all reflections included in the refinement	1.38
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296514 (current)	2024-12-06	cif/ Updating files of 7717092, 7717093, 7717094 Original log message: Adding full bibliography for 7717092--7717094.cif.	7717094.cif
294907	2024-09-27	cif/ Adding structures of 7717092, 7717093, 7717094 via cif-deposit CGI script.	7717094.cif