Crystallography Open Database

Information card for entry 7716689

Preview

Coordinates	7716689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H40 Cu2 N4 O10 V2
Calculated formula	C44 H40 Cu2 N4 O10 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	9.0873 ± 0.0002 Å
b	13.3569 ± 0.0003 Å
c	17.7604 ± 0.0003 Å
α	86.312 ± 0.002°
β	80.406 ± 0.001°
γ	72.478 ± 0.002°
Cell volume	2026.72 ± 0.08 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 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	0.089
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1548
Weighted residual factors for all reflections included in the refinement	0.1742
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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.	7716689.cif
293481	2024-07-20	cif/ Adding structures of 7716686, 7716687, 7716688, 7716689 via cif-deposit CGI script.	7716689.cif