Crystallography Open Database

Information card for entry 7716687

Preview

Coordinates	7716687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 Cu2 N4 O14 V2
Calculated formula	C40 H32 Cu2 N4 O14 V2
Title of publication	Orthogonal magnetic orbitals in high spin Cu-VO units: structure, magnetism and EPR study of anisotropic heterometallic complexes.
Authors of publication	Deng, Qing-Song; Zhang, Yu-Shuang; Wang, Ye-Xin; Xie, Yi; Fu, Peng-Xiang; Gao, Song; Liu, Zheng; Jiang, Shang-Da
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	31
Pages of publication	13207 - 13215
a	20.1187 ± 0.0008 Å
b	10.8875 ± 0.0004 Å
c	18.4955 ± 0.0007 Å
α	90°
β	109.576 ± 0.004°
γ	90°
Cell volume	3817.1 ± 0.3 Å³
Cell temperature	303.58 ± 0.17 K
Ambient diffraction temperature	303.58 ± 0.17 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	0.0578
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation probe	x-ray
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
294573 (current)	2024-09-06	cif/ Updating files of 7716686, 7716687, 7716688, 7716689 Original log message: Adding full bibliography for 7716686--7716689.cif.	7716687.cif
293481	2024-07-20	cif/ Adding structures of 7716686, 7716687, 7716688, 7716689 via cif-deposit CGI script.	7716687.cif