Crystallography Open Database

Information card for entry 4500471

Preview

Coordinates	4500471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H39 N9 O27 Zn6
Calculated formula	C48 H30 N9 O27 Zn6
Title of publication	Two Novel Zinc(II) Metal‒Organic Frameworks Based on Triazole-Carboxylate Shared Paddle-Wheel Units: Synthesis, Structure, and Gas Adsorption
Authors of publication	Ling, Yun; Chen, Zhenxia; Zheng, Hua; Zhou, Yaming; Weng, Linhong; Zhao, Dongyuan
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	7
Pages of publication	2811
a	19.379 ± 0.008 Å
b	14.639 ± 0.006 Å
c	19.484 ± 0.007 Å
α	90°
β	116.046 ± 0.006°
γ	90°
Cell volume	4966 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1056
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.2406
Weighted residual factors for all reflections included in the refinement	0.2613
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179535 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/04.	4500471.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500471.cif
34506	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500470, 4500471 via cif-deposit CGI script.	4500471.cif