Crystallography Open Database

Information card for entry 2022926

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Preview

Coordinates	2022926.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Diaquabis(<i>o</i>-phenylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) naphthalene-1,5-disulfonate
Formula	C22 H26 N4 Ni O8 S2
Calculated formula	C22 H26 N4 Ni O8 S2
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of di-aqua-bis-(<i>o</i>-phenyl-enedi-amine-κ<sup>2</sup><i>N</i>,<i>N</i>')nickel(II) naphthalene-1,5-di-sulfonate.
Authors of publication	Suyunov, Jabbor R.; Turaev, Khayit Kh; Alimnazarov, Bekmurod Kh; Nazarov, Yusuf E.; Mengnorov, Islombek J.; Ibragimov, Bakhtiyar T.; Ashurov, Jamshid M.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2023
Journal volume	79
Journal issue	Pt 11
Pages of publication	1083 - 1087
a	12.7613 ± 0.0003 Å
b	7.7054 ± 0.0001 Å
c	13.4641 ± 0.0003 Å
α	90°
β	111.554 ± 0.002°
γ	90°
Cell volume	1231.36 ± 0.05 Å³
Cell temperature	563.15 K
Ambient diffraction temperature	563.15 K
Number of distinct elements	6
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	0.0391
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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