Crystallography Open Database

Information card for entry 7231913

7231912 << 7231913 >> 7231914

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Coordinates	7231913.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	AB96
Formula	C16 H24 Cl2 Cu2 N6 O2
Calculated formula	C16 H24 Cl2 Cu2 N6 O2
Title of publication	Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties
Authors of publication	Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	2
Pages of publication	251
a	8.213 ± 0.0007 Å
b	10.6509 ± 0.0007 Å
c	24.483 ± 0.002 Å
α	90°
β	94.124 ± 0.007°
γ	90°
Cell volume	2136.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
223591 (current)	2019-11-07	cif/ Updating files of 7231912, 7231913, 7231914 Original log message: Adding full bibliography for 7231912--7231914.cif.	7231913.cif
212300	2018-12-04	cif/ Adding structures of 7231912, 7231913, 7231914 via cif-deposit CGI script.	7231913.cif