Crystallography Open Database

Information card for entry 7231912

7231911 << 7231912 >> 7231913

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Coordinates	7231912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 Cu2 I2 N10
Calculated formula	C30 H40 Cu2 I2 N10
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	15.8546 ± 0.0003 Å
b	11.2212 ± 0.0002 Å
c	19.1473 ± 0.0004 Å
α	90°
β	93.305 ± 0.002°
γ	90°
Cell volume	3400.79 ± 0.11 Å³
Cell temperature	130.01 ± 0.1 K
Ambient diffraction temperature	130.01 ± 0.1 K
Number of distinct elements	5
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	0.0577
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1335
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7231912.cif
212300	2018-12-04	cif/ Adding structures of 7231912, 7231913, 7231914 via cif-deposit CGI script.	7231912.cif