Crystallography Open Database

Information card for entry 4503693

Preview

Coordinates	4503693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H22 N8 O4 Zn2
Calculated formula	C14 H22 N8 O4 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	18.203 ± 0.007 Å
b	23.242 ± 0.009 Å
c	9.606 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4064 ± 3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.1028
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1752
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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.	4503693.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503693.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.	4503693.cif