Crystallography Open Database

Information card for entry 7042384

Preview

Coordinates	7042384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H11 Cl2 F10 N3 O Re
Calculated formula	C18 H11 Cl2 F10 N3 O Re
SMILES	[Re]12(Cl)(Cl)(C#[O])N(c3c(c(c(c(c3F)F)F)F)F)CC[N]1(C)CCN2c1c(c(c(c(c1F)F)F)F)F
Title of publication	Cationic rhenium(iii) complexes: synthesis, characterization, and reactivity for hydrosilylation of aldehydes.
Authors of publication	Pérez, Damaris E; Smeltz, Jessica L.; Sommer, Roger D.; Boyle, Paul D.; Ison, Elon A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	14
Pages of publication	4609 - 4616
a	12.2754 ± 0.0004 Å
b	18.8021 ± 0.0006 Å
c	18.9382 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4371 ± 0.2 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.0703
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
196448 (current)	2017-05-06	cif/ Updating files of 7042384, 7042385, 7042386 Original log message: Adding full bibliography for 7042384--7042386.cif.	7042384.cif
194119	2017-03-09	cif/ Adding structures of 7042384, 7042385, 7042386 via cif-deposit CGI script.	7042384.cif