Crystallography Open Database

Information card for entry 7212477

Preview

Coordinates	7212477.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ADACID
Formula	C14 H20 O4
Calculated formula	C14 H20 O4
SMILES	C12(CC3(CC(CC(C3)C1)C2)CC(=O)O)CC(=O)O
Title of publication	Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid
Authors of publication	Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	8
Pages of publication	2381
a	14.7198 ± 0.0016 Å
b	7.7386 ± 0.0017 Å
c	23.1799 ± 0.0009 Å
α	90°
β	106.385 ± 0.003°
γ	90°
Cell volume	2533.2 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0802
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.154
Weighted residual factors for all reflections included in the refinement	0.1668
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
180455 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/24.	7212477.cif
93046	2014-01-12	cif/ Adding structures of 7212477, 7212478, 7212479, 7212480, 7212481 via cif-deposit CGI script.	7212477.cif