Crystallography Open Database

Information card for entry 7058820

Preview

Coordinates	7058820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H39 B2 F8 N9 O3 Re6 Te8
Calculated formula	C21 H39 B2 F8 N9 O3 Re6 Te8
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	12.0153 ± 0.0004 Å
b	24.6284 ± 0.0008 Å
c	18.1398 ± 0.0005 Å
α	90°
β	101.353 ± 0.001°
γ	90°
Cell volume	5262.9 ± 0.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0888
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
224734 (current)	2019-11-08	cif/ Updating files of 7058819, 7058820, 7058821 Original log message: Adding full bibliography for 7058819--7058821.cif.	7058820.cif
218203	2019-09-12	cif/ Adding structures of 7058819, 7058820, 7058821 via cif-deposit CGI script.	7058820.cif