Crystallography Open Database

Information card for entry 7714938

Preview

Coordinates	7714938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C648 H1032 Co24 N176 O182 S24
Calculated formula	C336 H304 Co24 N72 O78 S24
Title of publication	Increasing the stability of calixarene-capped porous cages through coordination sphere tuning.
Authors of publication	Dey, Avishek; Dworzak, Michael R.; Korathotage, Kaushalya D. P.; Ghosh, Munmun; Hoq, Jahidul; Montone, Christine M.; Yap, Glenn P. A.; Bloch, Eric D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	9
Pages of publication	4005 - 4009
a	28.324 ± 0.002 Å
b	28.324 ± 0.002 Å
c	47.231 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	37891 ± 6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.1672
Residual factor for significantly intense reflections	0.116
Weighted residual factors for significantly intense reflections	0.313
Weighted residual factors for all reflections included in the refinement	0.3541
Goodness-of-fit parameter for all reflections included in the refinement	1.237
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290217 (current)	2024-03-04	cif/ Updating files of 7714937, 7714938, 7714939 Original log message: Adding full bibliography for 7714937--7714939.cif.	7714938.cif
288710	2024-01-06	cif/ Adding structures of 7714937, 7714938, 7714939 via cif-deposit CGI script.	7714938.cif