Crystallography Open Database

Information card for entry 7216757

Preview

Coordinates	7216757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H22 Cl2 Cu2 N4 O2
Calculated formula	C14 H22 Cl2 Cu2 N4 O2
SMILES	C1Cn2c(cc([n]2[Cu]2([O]1[Cu]1([n]3c(cc(C)n3CC[O]21)C)Cl)Cl)C)C
Title of publication	Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties
Authors of publication	Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	34
Pages of publication	8027
a	4.4013 ± 0.0009 Å
b	8.2656 ± 0.0017 Å
c	12.976 ± 0.003 Å
α	82.02 ± 0.03°
β	87 ± 0.03°
γ	79.24 ± 0.03°
Cell volume	459.1 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
180498 (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 7/21/67.	7216757.cif
121605	2014-08-08	cif/ Updating files of 7216755, 7216756, 7216757, 7216758 Original log message: Adding full bibliography for 7216755--7216758.cif.	7216757.cif
118034	2014-06-25	cif/ Adding structures of 7216755, 7216756, 7216757, 7216758 via cif-deposit CGI script.	7216757.cif