Crystallography Open Database

Information card for entry 7714606

Preview

Coordinates	7714606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H58 Cu4 Mo22 N24 O83 P2 V4
Calculated formula	C64 H56 Cu4 Mo22.076 N24 O83 P2 V3.924
Title of publication	Copper-containing POM-based hybrid P2Mo22V4Cu4 nanocluster as heterogeneous catalyst for the light-driven hydroxylation of benzene to phenol.
Authors of publication	Chen, Qun; Jiao, Cheng-Yang; Xu, Hu; Li, Si-Man; Yang, Jian-Bo; Mei, Hua; Xu, Yan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	3
Pages of publication	1190 - 1195
a	12.746 ± 0.004 Å
b	14.053 ± 0.004 Å
c	19.212 ± 0.006 Å
α	73.689 ± 0.004°
β	77.538 ± 0.004°
γ	66.914 ± 0.003°
Cell volume	3016.4 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0774
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
289540 (current)	2024-02-04	cif/ Updating files of 7714606 Original log message: Adding full bibliography for 7714606.cif.	7714606.cif
288059	2023-12-06	cif/ Adding structures of 7714606 via cif-deposit CGI script.	7714606.cif