Crystallography Open Database

Information card for entry 2311616

Preview

Coordinates	2311616.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetrakis(μ-4-methoxybenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(dimethylformamide-κ<i>O</i>)copper(II)]
Formula	C38 H42 Cu2 N2 O14
Calculated formula	C38 H42 Cu2 N2 O14
SMILES	C1(=[O][Cu]234([Cu](O1)(OC(=[O]4)c1ccc(cc1)OC)([O]=C(c1ccc(cc1)OC)O3)([O]=C(c1ccc(cc1)OC)O2)[O]=CN(C)C)[O]=CN(C)C)c1ccc(cc1)OC
Title of publication	Supramolecular architecture of metal-organic frameworks involving dinuclear copper paddle-wheel complexes.
Authors of publication	Gomathi, Sundaramoorthy; Muthiah, Packianathan Thomas
Journal of publication	Acta crystallographica. Section C, Crystal structure communications
Year of publication	2013
Journal volume	69
Journal issue	Pt 12
Pages of publication	1498 - 1502
a	12.2001 ± 0.0002 Å
b	18.1548 ± 0.0004 Å
c	9.2514 ± 0.0002 Å
α	90°
β	101.042 ± 0.001°
γ	90°
Cell volume	2011.16 ± 0.07 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
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	0.06
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
246027 (current)	2019-12-26	cif/ Adding structures of 2311615, 2311616 via cif-deposit CGI script.	2311616.cif