Crystallography Open Database

Information card for entry 2244202

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Structure parameters

Chemical name	Diaquadinitratobis(4-nitroaniline)copper(II)
Formula	C12 H16 Cu N6 O12
Calculated formula	C12 H16 Cu N6 O12
SMILES	c1(ccc(cc1)N(=O)=O)[NH2][Cu](ON(=O)=O)([OH2])([NH2]c1ccc(cc1)N(=O)=O)(ON(=O)=O)[OH2]
Title of publication	Synthesis, structure and Hirshfeld surface analysis of diaquadinitratobis(4-nitroaniline)copper(II)
Authors of publication	Kamolov, Sanjar; Babaev, Bakhrom; Ibragimov, Aziz; Yakubov, Yuldash; Abdullaev, Akhrorjon; Ibragimov, Bakhtiyar; Ashurov, Jamshid
Journal of publication	Acta Crystallographica Section E
Year of publication	2022
Journal volume	78
Journal issue	12
a	5.4741 ± 0.0002 Å
b	22.5679 ± 0.0006 Å
c	7.6478 ± 0.0002 Å
α	90°
β	92.286 ± 0.003°
γ	90°
Cell volume	944.05 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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