Crystallography Open Database

Information card for entry 1564330

Preview

Coordinates	1564330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 Cu2 N12 O12
Calculated formula	C34 H28 Cu2 N12 O12
SMILES	c1cccc2[n]1[Cu]13([n]4c(cc(n24)C)C(=O)N[N]1=Cc1cccc(O)c1O3)ON(=O)=O
Title of publication	A bio-compatible pyridine-pyrazole hydrazide based compartmental receptor for Al<sup>3+</sup> sensing and its application in cell imaging.
Authors of publication	Das, Bhriguram; Dolai, Malay; Ghosh, Avijit; Dhara, Anamika; Mahapatra, Ananya Das; Chattopadhyay, Debprasad; Mabhai, Subhabrata; Jana, Atanu; Dey, Satyajit; Misra, Ajay
Journal of publication	Analytical methods : advancing methods and applications
Year of publication	2021
Journal volume	13
Journal issue	37
Pages of publication	4266 - 4279
a	8.4663 ± 0.0013 Å
b	9.2044 ± 0.0014 Å
c	11.8424 ± 0.0018 Å
α	73.774 ± 0.002°
β	70.534 ± 0.002°
γ	80.563 ± 0.002°
Cell volume	832.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0712
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1501
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
269598 (current)	2021-10-06	cif/ Updating files of 1564329, 1564330 Original log message: Adding full bibliography for 1564329--1564330.cif.	1564330.cif
267960	2021-08-06	cif/ Adding structures of 1564330 via cif-deposit CGI script.	1564330.cif