Crystallography Open Database

Information card for entry 1546834

Preview

Coordinates	1546834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 Hf3 O16
Calculated formula	C12 H6 Hf3 O16
Title of publication	A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions
Authors of publication	Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang
Journal of publication	Catalysis Science & Technology
Year of publication	2017
Journal volume	7
Journal issue	19
Pages of publication	4346 - 4350
a	34.9801 ± 0.0012 Å
b	34.9801 ± 0.0012 Å
c	34.9801 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	42802 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1546834.cif
199952	2017-08-26	cif/ Adding structures of 1546834, 1546835 via cif-deposit CGI script.	1546834.cif