Crystallography Open Database

Information card for entry 7248371

Preview

Coordinates	7248371.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H29.7 Mo12 Na3.3 Ni0.58 O55.5 U
Calculated formula	Mo12 Na3.3 Ni0.576 O55.5 U
Title of publication	Highly-stable Silverton-type UIV-containing polyoxomolybdate frameworks for the heterogeneous catalytic synthesis of quinazolinones
Authors of publication	Li, Ke; Liu, Yufeng; Yang, Guoping; Zheng, Zhijian; Lin, Xiaoling; Zhang, Zhibin; Li, Shujun; Liu, Yunhai; Wei, Yongge
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	11
Pages of publication	6454 - 6460
a	25.9532 ± 0.0008 Å
b	25.9532 ± 0.0008 Å
c	25.9532 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	17481.3 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	206
Hermann-Mauguin space group symbol	I a -3
Hall space group symbol	-I 2b 2c 3
Residual factor for all reflections	0.0249
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0599
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
293169 (current)	2024-07-05	cif/ Updating files of 7248368, 7248369, 7248370, 7248371 Original log message: Adding full bibliography for 7248368--7248371.cif.	7248371.cif
290742	2024-04-03	cif/ Adding structures of 7248368, 7248369, 7248370, 7248371 via cif-deposit CGI script.	7248371.cif