Crystallography Open Database

Information card for entry 4511709

Preview

Coordinates	4511709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 Cd N4 O4
Calculated formula	C20 H14 Cd N4 O4
Title of publication	New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties
Authors of publication	Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	8
Pages of publication	3727
a	7.5104 ± 0.001 Å
b	22.82 ± 0.003 Å
c	10.8562 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1860.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0224
Residual factor for significantly intense reflections	0.0201
Weighted residual factors for significantly intense reflections	0.0505
Weighted residual factors for all reflections included in the refinement	0.0515
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4511709.cif
122820	2014-09-06	cif/ Updating files of 4511704, 4511705, 4511706, 4511707, 4511708, 4511709, 4511710, 4511711, 4511712, 4511713, 4511714 Original log message: Adding full bibliography for 4511704--4511714.cif.	4511709.cif
120828	2014-07-29	cif/ Adding structures of 4511704, 4511705, 4511706, 4511707, 4511708, 4511709, 4511710, 4511711, 4511712, 4511713, 4511714 via cif-deposit CGI script.	4511709.cif