Crystallography Open Database

Information card for entry 4513684

Preview

Coordinates	4513684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H83 N19 O19 Zn5
Calculated formula	C56 H83 N19 O19 Zn5
Title of publication	A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation
Authors of publication	Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	12
Pages of publication	5794
a	15.4775 ± 0.0009 Å
b	19.1313 ± 0.0012 Å
c	25.544 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	7563.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
170783 (current)	2015-12-06	cif/ Updating files of 4513682, 4513683, 4513684, 4513685, 4513686, 4513687, 4513688 Original log message: Adding full bibliography for 4513682--4513688.cif.	4513684.cif
170023	2015-11-06	cif/ Adding structures of 4513682, 4513683, 4513684, 4513685, 4513686, 4513687, 4513688 via cif-deposit CGI script.	4513684.cif