Crystallography Open Database

Information card for entry 4501313

Preview

Coordinates	4501313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H24 N4 O8 Zn
Calculated formula	C13 H24 N4 O8 Zn
Title of publication	Discrete Octamer Water Cluster and 1D T5(2) Water Tape Trapped in Two Luminescent Zn(II)/1,2-Bis(imidazol-1′-yl)ethane/Dicarboxylate Hosts: From 2D (4,4) Net to 3D 5-Fold Interpenetrated Diamond Network
Authors of publication	Hao, Hong-Jun; Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5475
a	9.3287 ± 0.0003 Å
b	17.3921 ± 0.0006 Å
c	12.0743 ± 0.0003 Å
α	90°
β	104.795 ± 0.0009°
γ	90°
Cell volume	1894.05 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0881
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.223
Weighted residual factors for all reflections included in the refinement	0.2355
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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
179544 (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 4/50/13.	4501313.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501313.cif
34852	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4501313, 4501314 via cif-deposit CGI script.	4501313.cif