Crystallography Open Database

Information card for entry 4504639

Preview

Coordinates	4504639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 Co3 O18
Calculated formula	C12 H18 Co3 O18
Title of publication	Coexistence of Planar and Chair-Shaped Cyclic Water Hexamers in a Unique Cyclohexanehexacarboxylate-Bridged Metal−Organic Framework
Authors of publication	Wang, Jing; Zheng, Ling-Ling; Li, Cui-Jin; Zheng, Yan-Zhen; Tong, Ming-Liang
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	2
Pages of publication	357
a	14.3139 ± 0.001 Å
b	14.3139 ± 0.001 Å
c	14.6728 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	2603.5 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
179581 (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 4/50/46.	4504639.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4504639.cif
47452	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504639 via cif-deposit CGI script.	4504639.cif