Crystallography Open Database

Information card for entry 7247196

Preview

Coordinates	7247196.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	xstr1410
Formula	C110.67 H81.33 Cd4.67 N12.67 O28.67
Calculated formula	C110.667 H81.3333 Cd4.66667 N12.6667 O28.6667
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	14.0589 ± 0.00012 Å
b	43.1549 ± 0.0002 Å
c	33.7222 ± 0.0002 Å
α	90°
β	94.5246 ± 0.0007°
γ	90°
Cell volume	20395.8 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0954
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.2062
Weighted residual factors for all reflections included in the refinement	0.2236
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7247196.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.	7247196.cif