Crystallography Open Database

Information card for entry 7247190

Preview

Coordinates	7247190.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	xstr1355
Formula	C115.44 H96.4 Cd5.6 N14.68 O39.2
Calculated formula	C113.52 H93.2 Cd5.6 N14.44 O39.2
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	14.68693 ± 0.00011 Å
b	42.8432 ± 0.0003 Å
c	33.8507 ± 0.0002 Å
α	90°
β	93.1111 ± 0.0007°
γ	90°
Cell volume	21268.7 ± 0.3 Å³
Cell temperature	155 ± 7 K
Ambient diffraction temperature	155 ± 7 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	0.0878
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.2327
Weighted residual factors for all reflections included in the refinement	0.2426
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	7247190.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.	7247190.cif