Crystallography Open Database

Information card for entry 7715952

Preview

Coordinates	7715952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H120 Cu12 N45 O41
Calculated formula	C102 H120 Cu12 N45 O41
Title of publication	Solvents regulate the packing porosity of a bilayer metal-organic cage.
Authors of publication	Pan, Ting; Wu, Yanxin; Duan, Yuefeng; Duan, Jingui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	21
Pages of publication	9106 - 9111
a	24.0593 ± 0.0012 Å
b	24.0593 ± 0.0012 Å
c	21.519 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	10787.4 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1027
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.2319
Weighted residual factors for all reflections included in the refinement	0.2524
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
293154 (current)	2024-07-05	cif/ Updating files of 7715950, 7715951, 7715952 Original log message: Adding full bibliography for 7715950--7715952.cif.	7715952.cif
291743	2024-05-07	cif/ Adding structures of 7715950, 7715951, 7715952 via cif-deposit CGI script.	7715952.cif