Crystallography Open Database

Information card for entry 4504653

Preview

Coordinates	4504653.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cis,cis-1,3,5-cyclohexanetricarboxylic acid - 18-crown-6
Formula	C2.5 H4 O1.5
Calculated formula	C2.5 H4 O1.5
Title of publication	Influence of the Ammonium Cation and 18-Crown-6 Guest on the Supramolecular Networks of 1,3,5-Cyclohexanetricarboxylic Acid
Authors of publication	Bhogala, Balakrishna R.; Nangia, Ashwini
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	1
Pages of publication	32 - 35
a	16.5374 ± 0.0008 Å
b	16.5374 ± 0.0008 Å
c	11.583 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	2743.4 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0858
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
211127 (current)	2018-09-23	cif/4/ Updating bibliography in entries 4504651-4504653, 4511531. Marking entry 4511531 as a duplicate of entry 4504651.	4504653.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4504653.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504653.cif
47457	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504653 via cif-deposit CGI script.	4504653.cif