Crystallography Open Database

Information card for entry 7250612

Preview

Coordinates	7250612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0.98 H0.98 Ca0.02 Er0 N0.98 O0.98 Sn0.02
Calculated formula	C2.47826 Er0.0869565 N0.0869565 O0.956522 Sn0.0434783
Title of publication	Nanocage-based {SnEr2}-organic framework for high catalytic performance in cycloaddition of CO2 with epoxides and Knoevenagel condensation
Authors of publication	Wang, Xu; Fan, BinBin; Chen, Jing; Du, Jing; Pan, Dahai
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	27
Pages of publication	21914 - 21921
a	9.3094 ± 0.0015 Å
b	15.956 ± 0.003 Å
c	28.392 ± 0.005 Å
α	96.344 ± 0.005°
β	90.243 ± 0.005°
γ	104.661 ± 0.005°
Cell volume	4052.8 ± 1.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2222
Residual factor for significantly intense reflections	0.1646
Weighted residual factors for significantly intense reflections	0.4616
Weighted residual factors for all reflections included in the refinement	0.4918
Goodness-of-fit parameter for all reflections included in the refinement	1.691
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
300303 (current)	2025-07-03	cif/ Adding structures of 7250612 via cif-deposit CGI script.	7250612.cif