Crystallography Open Database

Information card for entry 2311943

2311942 << 2311943 >> 2311944

Preview

Coordinates	2311943.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[(3-amino-4-carboxybenzenesulfonato-κ<i>O</i>)aquabis[μ~2~-1,4-bis(triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]copper(II)] 3-amino-4-carboxybenzenesulfonate 3.5-hydrate]
Formula	C38 H46 Cu N14 O15 S2
Calculated formula	C38 H46 Cu N14 O15 S2
Title of publication	Preparation and characterization of two new Cu<sup>II</sup> supramolecular coordination polymers incorporating sulfobenzoate and flexible heterocyclic ligands.
Authors of publication	Chu, Xin; Zhang, Kou Lin
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2017
Journal volume	73
Journal issue	Pt 12
Pages of publication	1087 - 1097
a	24.39 ± 0.003 Å
b	11.871 ± 0.0015 Å
c	16.048 ± 0.002 Å
α	90°
β	96.325 ± 0.004°
γ	90°
Cell volume	4618.2 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0982
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1569
Weighted residual factors for all reflections included in the refinement	0.1792
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
246180 (current)	2019-12-26	cif/ Adding structures of 2311943, 2311944 via cif-deposit CGI script.	2311943.cif