Crystallography Open Database

Information card for entry 4503790

Preview

Coordinates	4503790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H25 Cl2 Cu N8 O16.5
Calculated formula	C18 H20 Cl2 Cu N8 O14.5
Title of publication	Construction of Three-Dimensional Honeycomb-like Supramolecular Host Network with Dicationic Metallotecton Cu[(2-C4H3N2)2C(OH)2]22+through Cooperative Hydrogen-Bonding and Anion-π Interactions
Authors of publication	Wan, Chong-Qing; Li, Gui-Sheng; Chen, Xu-Dong; Mak, Thomas C. W.
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	11
Pages of publication	3897
a	30.6147 ± 0.0018 Å
b	30.6147 ± 0.0018 Å
c	8.3342 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	6764.8 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1634
Weighted residual factors for all reflections included in the refinement	0.192
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4503790.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503790.cif
41768	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503790, 4503791, 4503792, 4503793 via cif-deposit CGI script.	4503790.cif