Crystallography Open Database

Information card for entry 4501378

Preview

Coordinates	4501378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H34 N6 O11 Zn
Calculated formula	C20 H34 N6 O11 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	24.0866 ± 0.0019 Å
b	4.8855 ± 0.0004 Å
c	22.2025 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2612.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	4501378.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501378.cif
34882	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4501377, 4501378 via cif-deposit CGI script.	4501378.cif