Crystallography Open Database

Information card for entry 4500470

Preview

Coordinates	4500470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H34 N6 O29 Zn7
Calculated formula	C44 H24 N6 O29 Zn7
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	25.117 ± 0.011 Å
b	26.607 ± 0.012 Å
c	17.479 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	11681 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1606
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.2212
Weighted residual factors for all reflections included in the refinement	0.2728
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	4500470.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500470.cif
34506	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500470, 4500471 via cif-deposit CGI script.	4500470.cif