Crystallography Open Database

Information card for entry 7250442

Preview

Coordinates	7250442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H30 N15 Ni3 O56 W12
Calculated formula	C45 H30 N15 Ni3 O56 W12
Title of publication	Photocatalytic oxidation of various C–H bonds by a polyoxometalate nanocluster-dominated compartmentalized metal–organic framework
Authors of publication	Jiao, Jiachen; Zhang, Chuanbao; Sun, Hui; Hu, Haina; Xu, Ziqing; Zhao, Junwei; Han, Qiuxia; Ma, Pengtao
Journal of publication	Green Chemistry
Year of publication	2025
Journal volume	27
Journal issue	25
Pages of publication	7608 - 7619
a	43.284 ± 0.004 Å
b	20.552 ± 0.0017 Å
c	26.903 ± 0.002 Å
α	90°
β	126.944 ± 0.001°
γ	90°
Cell volume	19127 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 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	0.073
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1301
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
301006 (current)	2025-07-06	cif/ Updating files of 7250442 Original log message: Adding full bibliography for 7250442.cif.	7250442.cif
299802	2025-05-24	cif/ Adding structures of 7250442 via cif-deposit CGI script.	7250442.cif