Crystallography Open Database

Information card for entry 2022537

2022536 << 2022537 >> 2022538

Preview

Coordinates	2022537.cif
Structure factors	2022537.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	(1,4,7,10,13,16-Hexaoxacyclooctadecane)bis(tetrahydrofuran)potassium [(η^4^-anthracene)(tetrahydrofuran)vanadium]-μ-η^4^:η^2^-anthracene-[(1,4,7,10,13,16-Hexaoxacyclooctadecane)potassium]-μ-η^2^:η^4^-anthracene-[(η^4^-anthracene)(tetrahydrofuran)vanadium] tetrahydrofuran disolvate
Formula	C104 H136 K2 O18 V2
Calculated formula	C104 H136 K2 O18 V2
Title of publication	Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~]
Authors of publication	Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E.
Journal of publication	Acta Crystallographica Section C
Year of publication	2022
Journal volume	78
Journal issue	3
a	9.1729 ± 0.0016 Å
b	9.3501 ± 0.0016 Å
c	27.928 ± 0.005 Å
α	89.695 ± 0.003°
β	88.67 ± 0.003°
γ	83.918 ± 0.004°
Cell volume	2381.2 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1245
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
272899 (current)	2022-02-10	cif/ hkl/ Adding structures of 2022535, 2022536, 2022537, 2022538, 2022539, 2022540 via cif-deposit CGI script.	2022537.cif 2022537.hkl