Crystallography Open Database

Information card for entry 7247195

Preview

Coordinates	7247195.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	xstr1386
Formula	C161.75 H131 Cd6.9 N25.5 O41.65
Calculated formula	C161.75 H131 Cd6.9 N25.5 O41.65
Title of publication	Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method
Authors of publication	Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	35
Pages of publication	5001 - 5011
a	14.9412 ± 0.0002 Å
b	42.7238 ± 0.0004 Å
c	33.8725 ± 0.0004 Å
α	90°
β	93.6969 ± 0.0014°
γ	90°
Cell volume	21577.3 ± 0.4 Å³
Cell temperature	156 ± 9 K
Ambient diffraction temperature	156 ± 9 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.118
Residual factor for significantly intense reflections	0.1101
Weighted residual factors for significantly intense reflections	0.2867
Weighted residual factors for all reflections included in the refinement	0.2931
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286742 (current)	2023-10-06	cif/ Updating files of 7247186, 7247187, 7247188, 7247189, 7247190, 7247191, 7247192, 7247193, 7247194, 7247195, 7247196 Original log message: Adding full bibliography for 7247186--7247196.cif.	7247195.cif
285630	2023-08-12	cif/ Adding structures of 7247186, 7247187, 7247188, 7247189, 7247190, 7247191, 7247192, 7247193, 7247194, 7247195, 7247196 via cif-deposit CGI script.	7247195.cif