Crystallography Open Database

Information card for entry 7248888

Preview

Coordinates	7248888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H29 N3 O18 Sc2
Calculated formula	C17 H29 N3 O18 Sc2
Title of publication	Solvent-free synthesis and optical properties of two open-framework metal oxalates with zeolitic ABW and diamondoid topologies
Authors of publication	Guo, Shuxian; Liu, Sihan; Wen, Xuemei; Cheng, Juan; Wang, Xin; Zeng, Hongmei; Zou, Guohong; Lin, Zhien
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	26
Pages of publication	3463 - 3467
a	10.7947 ± 0.0006 Å
b	13.2243 ± 0.0009 Å
c	18.4212 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2629.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
292950 (current)	2024-07-05	cif/ Updating files of 7248888, 7248889 Original log message: Adding full bibliography for 7248888--7248889.cif.	7248888.cif
292469	2024-06-20	cif/ Adding structures of 7248888, 7248889 via cif-deposit CGI script.	7248888.cif