Crystallography Open Database

Information card for entry 7035952

Preview

Coordinates	7035952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H13 N3 O10 Zn2
Calculated formula	C24 H12.9999 N3 O9.9999 Zn2
Title of publication	A hydrothermally stable Zn(ii)-based metal-organic framework: structural modulation and gas adsorption.
Authors of publication	Zhang, Xiuling; Zhang, Yong-Zheng; Zhang, Da-Shuai; Zhu, Baoyong; Li, Jian-Rong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	35
Pages of publication	15697 - 15702
a	16.7612 ± 0.0016 Å
b	16.7612 ± 0.0016 Å
c	6.898 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	1678.3 ± 0.3 Å³
Cell temperature	100 ± 10 K
Ambient diffraction temperature	100 ± 10 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0745
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1998
Weighted residual factors for all reflections included in the refinement	0.2018
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
161269 (current)	2015-10-09	cif/ Updating files of 7035952 Original log message: Adding full bibliography for 7035952.cif.	7035952.cif
152545	2015-07-25	cif/ Adding structures of 7035952 via cif-deposit CGI script.	7035952.cif