Crystallography Open Database

Information card for entry 7218102

Preview

Coordinates	7218102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Cu N4 O8
Calculated formula	C24 H22 Cu N4 O8
SMILES	c1[n](cc[nH]1)[Cu](OC(=O)c1ccccc1C(=O)OC)([n]1c[nH]cc1)OC(=O)c1ccccc1C(=O)OC
Title of publication	Unusual solvent-mediated hydrolysis of dicarboxylate monoester ligands in copper(II) complexes toward simultaneous crystallization of new dicarboxylate derivatives
Authors of publication	Baruah, Jubaraj Bikash; Kirillov, Alexander M.; Nath, Jayanta K.
Journal of publication	RSC Adv.
Year of publication	2014
a	12.553 ± 0.0006 Å
b	8.4912 ± 0.0006 Å
c	24.4976 ± 0.0013 Å
α	90°
β	100.436 ± 0.003°
γ	90°
Cell volume	2568 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.06
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
180512 (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 7/21/81.	7218102.cif
123736	2014-09-12	cif/ Adding structures of 7218102, 7218103, 7218104, 7218105, 7218106 via cif-deposit CGI script.	7218102.cif