Crystallography Open Database

Information card for entry 8107436

Preview

Coordinates	8107436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H76 Cu N8 O34 V10
Calculated formula	C24 H76 Cu N8 O34 V10
Title of publication	Crystal structure of bis(2,5,5,7-tetramethyl-1,4-diazepane-1,4-diium) diaqua-bis(1,2-diaminopropane)copper(II) bis(μ6-oxido)tetrakis(μ3-oxido)-tetradecakis(μ2-oxido)-octaoxido-decavanadium(V) – water (1/4), C24H76CuN8V10O34
Authors of publication	Deng, Yuan-Huan; Wang, Qiong
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	2
Pages of publication	345 - 347
a	22.416 ± 0.004 Å
b	11.7003 ± 0.0018 Å
c	20.079 ± 0.003 Å
α	90°
β	95.594 ± 0.007°
γ	90°
Cell volume	5241.1 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.202
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
285033 (current)	2023-07-06	cif/ Adding structures of 8107436 via cif-deposit CGI script.	8107436.cif