Crystallography Open Database

Information card for entry 7058821

Preview

Coordinates	7058821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 F6 N8 O6 Re6 S10
Calculated formula	C18 H24 F6 N8 O6 Re6 S10
Title of publication	Functionalization of [Re6Q8(CN)6]4− clusters by methylation of cyanide ligands
Authors of publication	Mikhaylov, Maksim A.; Mironova, Alina D.; Brylev, Konstantin A.; Sukhikh, Taisiya S.; Eltsov, Ilia V.; Stass, Dmitri V.; Gushchin, Artem L.; Kitamura, Noboru; Sokolov, Maxim N.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	41
Pages of publication	16338
a	22.8829 ± 0.0013 Å
b	11.7447 ± 0.0007 Å
c	16.8444 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4527 ± 0.4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	7
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	0.0837
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1559
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	1.241
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
224734 (current)	2019-11-08	cif/ Updating files of 7058819, 7058820, 7058821 Original log message: Adding full bibliography for 7058819--7058821.cif.	7058821.cif
218203	2019-09-12	cif/ Adding structures of 7058819, 7058820, 7058821 via cif-deposit CGI script.	7058821.cif