Crystallography Open Database

Information card for entry 7714937

Preview

Coordinates	7714937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C600 H928 Fe24 N160 O166 S24
Calculated formula	C336 H312 Fe24 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	28.4778 ± 0.0018 Å
b	28.4778 ± 0.0018 Å
c	47.72 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	38700 ± 4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.1609
Residual factor for significantly intense reflections	0.107
Weighted residual factors for significantly intense reflections	0.3049
Weighted residual factors for all reflections included in the refinement	0.3359
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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.	7714937.cif
288710	2024-01-06	cif/ Adding structures of 7714937, 7714938, 7714939 via cif-deposit CGI script.	7714937.cif