Crystallography Open Database

Information card for entry 4513685

Preview

Coordinates	4513685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H50 N10 O17 Zn5
Calculated formula	C45 H50 N10 O17 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	15.1796 ± 0.0019 Å
b	19.303 ± 0.002 Å
c	25.806 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7561.5 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1257
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1515
Weighted residual factors for all reflections included in the refinement	0.1922
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4513685.cif
170023	2015-11-06	cif/ Adding structures of 4513682, 4513683, 4513684, 4513685, 4513686, 4513687, 4513688 via cif-deposit CGI script.	4513685.cif