Crystallography Open Database

Information card for entry 7246820

Preview

Coordinates	7246820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 N4 O8
Calculated formula	C26 H24 N4 O8
SMILES	O(C(=O)c1c(c(c(nc1C)/C=N/NC(=O)c1c(O)cccc1)C(=O)OCC)c1ccc(N(=O)=O)cc1)CC
Title of publication	A pyridine dicarboxylate based hydrazone Schiff base for reversible colorimetric recognition of Ni2+ and PPi
Authors of publication	Bawa, Rashim; Negi, Swati; Singh, Bholey; Pani, Balaram; Kumar, Rakesh
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	23
Pages of publication	15391 - 15400
a	7.2016 ± 0.0005 Å
b	18.2857 ± 0.0012 Å
c	18.8379 ± 0.0013 Å
α	90°
β	97.855 ± 0.003°
γ	90°
Cell volume	2457.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.146
Residual factor for significantly intense reflections	0.1
Weighted residual factors for significantly intense reflections	0.2492
Weighted residual factors for all reflections included in the refinement	0.2784
Goodness-of-fit parameter for all reflections included in the refinement	1.258
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
297561 (current)	2025-02-01	cif/7 Fixing Z values and formulae	7246820.cif
283951	2023-05-23	cif/ Adding structures of 7246820, 7246821 via cif-deposit CGI script.	7246820.cif