Crystallography Open Database

Information card for entry 7716688

Preview

Coordinates	7716688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H20 Cl4 Cu2 N4 O14 V2
Calculated formula	C36 H20 Cl4 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	9.6581 ± 0.0002 Å
b	10.718 ± 0.0003 Å
c	10.7586 ± 0.0003 Å
α	114.387 ± 0.003°
β	94.858 ± 0.002°
γ	111.117 ± 0.002°
Cell volume	909.78 ± 0.05 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0712
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	7716688.cif
293481	2024-07-20	cif/ Adding structures of 7716686, 7716687, 7716688, 7716689 via cif-deposit CGI script.	7716688.cif