Crystallography Open Database

Information card for entry 4504662

Preview

Coordinates	4504662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 Cd N2 O6
Calculated formula	C15 H14 Cd N2 O6
Title of publication	Ionic Liquid as Solvent for the Synthesis and Crystallization of a Coordination Polymer: (EMI)[Cd(BTC)] (EMI = 1-Ethyl-3-methylimidazolium, BTC = 1,3,5-Benzenetricarboxylate)
Authors of publication	Liao, Ju-Hsiou; Wu, Pei-Chi; Huang, Wei-Chia
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	5
Pages of publication	1062
a	15.1129 ± 0.0015 Å
b	12.4966 ± 0.0011 Å
c	16.848 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3181.9 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0933
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.21
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.	4504662.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504662.cif
47466	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504662 via cif-deposit CGI script.	4504662.cif