Crystallography Open Database

Information card for entry 1570561

Preview

Coordinates	1570561.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetraaqua(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) naphthalene-1,5-disulfonate dihydrate
Formula	C12 H26 N2 Ni O12 S2
Calculated formula	C12 H26 N2 Ni O12 S2
SMILES	c1(cccc2c(cccc12)S(=O)(=O)[O-])S(=O)(=O)[O-].C1[NH2][Ni]([OH2])([OH2])([NH2]C1)([OH2])[OH2].O.O
Title of publication	Tetraaqua(ethane-1,2-diamine-κ2 N,N′)nickel(II) naphthalene-1,5-disulfonate dihydrate
Authors of publication	Suyunov, Jabbor R.; Turaev, Khayit Kh.; Alimnazarov, Bekmurod Kh.; Ibragimov, Aziz B.; Mengnorov, Islombek J.; Rasulov, Abdusamat A.; Ashurov, Jamshid M.
Journal of publication	IUCrData
Year of publication	2023
Journal volume	8
Journal issue	12
Pages of publication	x231032
a	15.4103 ± 0.0003 Å
b	10.1338 ± 0.0002 Å
c	13.4284 ± 0.0002 Å
α	90°
β	108.692 ± 0.002°
γ	90°
Cell volume	1986.44 ± 0.07 Å³
Cell temperature	291.15 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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

Version history

Revision	Date	Message	Files
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1570561.cif
288338	2023-12-15	cif/ Adding structures of 1570561 via cif-deposit CGI script.	1570561.cif