Crystallography Open Database

Information card for entry 7200552

7200551 << 7200552 >> 7200553

Preview

Coordinates	7200552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 Cl3 In N3 O7
Calculated formula	C17 H19 Cl3 In N3 O7
SMILES	[In]1(Cl)(Cl)(Cl)(OC(=O)c2[n]1cc(cc2)C(=O)O)[OH2].O.O.[nH+]1ccc(cc1)c1ccncc1
Title of publication	Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks
Authors of publication	Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	5
Pages of publication	918
a	15.732 ± 0.004 Å
b	10.328 ± 0.003 Å
c	15.061 ± 0.004 Å
α	90°
β	116.494 ± 0.004°
γ	90°
Cell volume	2190.1 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0603
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
180336 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/05.	7200552.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200552.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200552.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7200552.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200552.cif