Crystallography Open Database

Information card for entry 7231482

Preview

Coordinates	7231482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 N4 O2 S2
Calculated formula	C32 H28 N4 O2 S2
Title of publication	Electrical property and Schottky behavior of a flexible Schiff-base compound: X-ray structure and stabilization of 1D water chain.
Authors of publication	Dutta, Basudeb; Datta, Joydeep; Maity, Suvendu; Sinha, Chittaranjan; Sun, Di; Ray, Partha Pratim; Mir, Mohammad Hedayetullah
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2018
Journal volume	20
Journal issue	38
Pages of publication	24744 - 24749
a	5.4376 ± 0.0002 Å
b	8.0683 ± 0.0004 Å
c	17.0332 ± 0.0009 Å
α	77.328 ± 0.003°
β	84.635 ± 0.003°
γ	80.612 ± 0.003°
Cell volume	718.02 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0902
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1625
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
230946 (current)	2019-11-17	cif/ Updating files of 7231482 Original log message: Adding full bibliography for 7231482.cif.	7231482.cif
210383	2018-09-04	cif/ Adding structures of 7231482 via cif-deposit CGI script.	7231482.cif