Crystallography Open Database

Information card for entry 4501639

Preview

Coordinates	4501639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H18 N12 O10 S Zn3
Calculated formula	C11 H12 N12 O10 S Zn3
Title of publication	A Rare Uninodal 9-Connected Metal−Organic Framework with Permanent Porosity
Authors of publication	Zhang, Zhangjing; Xiang, Shengchang; Zheng, Qian; Rao, Xingtang; Mondal, Jalal U.; Arman, Hadi D.; Qian, Guodong; Chen, Banglin
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	5
Pages of publication	2372
a	16.1397 ± 0.0014 Å
b	8.7667 ± 0.0005 Å
c	16.9326 ± 0.0015 Å
α	90°
β	107.818 ± 0.005°
γ	90°
Cell volume	2280.9 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
179547 (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 4/50/16.	4501639.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501639.cif
36011	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501638, 4501639 via cif-deposit CGI script.	4501639.cif