Crystallography Open Database

Information card for entry 7716686

Preview

Coordinates	7716686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 Cu N2 O7 V
Calculated formula	C32 H24 Cu N2 O7 V
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	7.386 ± 0.0002 Å
b	13.3981 ± 0.0004 Å
c	15.4197 ± 0.0004 Å
α	71.938 ± 0.002°
β	84.339 ± 0.002°
γ	83.891 ± 0.002°
Cell volume	1438.99 ± 0.07 Å³
Cell temperature	303.27 ± 0.1 K
Ambient diffraction temperature	303.27 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0812
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for significantly intense reflections	0.2043
Weighted residual factors for all reflections included in the refinement	0.2086
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation probe	x-ray
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
294573 (current)	2024-09-06	cif/ Updating files of 7716686, 7716687, 7716688, 7716689 Original log message: Adding full bibliography for 7716686--7716689.cif.	7716686.cif
293481	2024-07-20	cif/ Adding structures of 7716686, 7716687, 7716688, 7716689 via cif-deposit CGI script.	7716686.cif