Crystallography Open Database

Information card for entry 8106699

Preview

Coordinates	8106699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H60 Cl2 N6 O23 V6
Calculated formula	C27 H60 Cl2 N6 O23 V6
Title of publication	Crystal structure of bis(3-(3-ethylureido)-N,N-dimethylpropan-1-aminium) bis (μ 3-2-(hydroxymethyl)-2-(oxidomethyl)propane-1,3-bis(olato))-(μ 6-oxo)-hexakis(μ 2-oxo)-hexaoxo-hexavanadium(V) – dichloromethane (1/1), C27H60Cl2N6O23V6
Authors of publication	Hu, Xiaokang; Huang, Bo; Xiao, Zicheng; Wu, Pingfan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	6
Pages of publication	849 - 850
a	26.1482 ± 0.0012 Å
b	10.6096 ± 0.0004 Å
c	17.4426 ± 0.0006 Å
α	90°
β	90.932 ± 0.004°
γ	90°
Cell volume	4838.3 ± 0.3 Å³
Cell temperature	106 K
Ambient diffraction temperature	106 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	0.0746
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
280798 (current)	2023-02-06	cif/ Adding structures of 8106699 via cif-deposit CGI script.	8106699.cif