Crystallography Open Database

Information card for entry 7243027

Preview

Coordinates	7243027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 N40 O25 Zn8
Calculated formula	C5.5 H4.5 N5 O3.125 Zn
Title of publication	Construction of a zeolite A-type multivariate metal‒organic framework for selective sensing of Fe3+ and Cr2O72−
Authors of publication	Talha, Khalid; Alamgir,; Ahmed, Naeem; Xie, Lin-Hua; Zhang, Xin; Li, Jian-Rong
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	28
Pages of publication	4923 - 4929
a	27.5455 ± 0.0002 Å
b	27.5455 ± 0.0002 Å
c	27.5455 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	20900.3 ± 0.3 Å³
Cell temperature	243.01 ± 0.1 K
Ambient diffraction temperature	243.01 ± 0.1 K
Number of distinct elements	5
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.1234
Residual factor for significantly intense reflections	0.0976
Weighted residual factors for significantly intense reflections	0.303
Weighted residual factors for all reflections included in the refinement	0.3537
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation probe	x-ray
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
268636 (current)	2021-09-06	cif/ Updating files of 7243027 Original log message: Adding full bibliography for 7243027.cif.	7243027.cif
266278	2021-06-09	cif/ Adding structures of 7243027 via cif-deposit CGI script.	7243027.cif