Crystallography Open Database

Information card for entry 4501377

Preview

Coordinates	4501377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 N3 O9 Zn
Calculated formula	C12 H12 N3 O9 Zn
Title of publication	Two Solvent-Dependent Zinc(II) Supramolecular Isomers: Rarekgdand Lonsdaleite Network Topologies Based on a Tripodal Flexible Ligand
Authors of publication	Cui, Peipei; Wu, Junling; Zhao, Xiaoliang; Sun, Di; Zhang, Liangliang; Guo, Jie; Sun, Daofeng
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5182
a	24.665 ± 0.002 Å
b	10.7741 ± 0.0009 Å
c	16.0097 ± 0.0014 Å
α	90°
β	93.126 ± 0.001°
γ	90°
Cell volume	4248.1 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	4501377.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501377.cif
34882	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4501377, 4501378 via cif-deposit CGI script.	4501377.cif