Crystallography Open Database

Information card for entry 2020782

2020781 << 2020782 >> 2020783

Preview

Coordinates	2020782.cif
Structure factors	2020782.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-poly[[[(<i>N</i>,<i>N</i>'-diethylethylenediamine-\ κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-succinato-\ κ^2^<i>O</i>^1^:<i>O</i>^4^] tetrahydrate]
Formula	C10 H28 Cu N2 O8
Calculated formula	C10 H28 Cu N2 O8
SMILES	[Cu]1(OC(=O)CCC(=O)[O-])([N](CC)(CC[NH2]1)CC)OC(=O)CCC(=O)O[Cu]1[N](CC)(CC[NH2]1)CC.O.O.O.O.O.O.O.O
Title of publication	A one-dimensional copper(II) coordination polymer incorporating succinate and <i>N</i>,<i>N</i>-diethylethylenediamine ligands: crystallographic analysis, vibrational and surface features, and DFT analysis
Authors of publication	Şen, Fatih; Kansiz, Sevgi; Uçar, İbrahim
Journal of publication	Acta Crystallographica Section C
Year of publication	2017
Journal volume	73
Journal issue	7
Pages of publication	517 - 524
a	15.7523 ± 0.0008 Å
b	7.1201 ± 0.0003 Å
c	15.954 ± 0.0008 Å
α	90°
β	112.709 ± 0.004°
γ	90°
Cell volume	1650.65 ± 0.15 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	0.0418
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.0749
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
199074 (current)	2017-07-25	cif/ hkl/ Adding structures of 2020782 via cif-deposit CGI script.	2020782.cif 2020782.hkl