Crystallography Open Database

Information card for entry 4503690

Preview

Coordinates	4503690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 N8 O5 Zn2
Calculated formula	C10 H16.03 N8 O5.01 Zn2
Title of publication	Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks
Authors of publication	Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	10
Pages of publication	3673
a	12.7035 ± 0.0011 Å
b	12.7035 ± 0.0011 Å
c	25.438 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4105.2 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	126
Hermann-Mauguin space group symbol	P 4/n n c :2
Hall space group symbol	-P 4a 2bc
Residual factor for all reflections	0.1173
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1739
Weighted residual factors for all reflections included in the refinement	0.2114
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179571 (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 4/50/36.	4503690.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503690.cif
41713	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503686, 4503687, 4503688, 4503689, 4503690, 4503691, 4503692, 4503693 via cif-deposit CGI script.	4503690.cif