Crystallography Open Database

Information card for entry 7222380

Preview

Coordinates	7222380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H21 N5 O3
Calculated formula	C29 H21 N5 O3
Title of publication	Detection of Copper (II) and Aluminium (III) by a new bis-benzimidazole Schiff base in aqueous media via distinct routes
Authors of publication	Kumar, Ashish; Kumar, Amit; Dubey, Mrigendra; Biswas, Arnab; Pandey, Shankar
Journal of publication	RSC Adv.
Year of publication	2015
a	28.2864 ± 0.0011 Å
b	28.2864 ± 0.0011 Å
c	13.3571 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	10687.3 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0931
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.2152
Weighted residual factors for all reflections included in the refinement	0.2301
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222380.cif
159087	2015-10-01	cif/ Adding structures of 7222380 via cif-deposit CGI script.	7222380.cif