Crystallography Open Database

Information card for entry 2012275

2012274 << 2012275 >> 2012276

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Coordinates	2012275.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(diethylenetriamine)nickel(II) 5-amino-1,3,4-thiadiazole-2- sulfonamidate chloride hydrate.
Formula	C10 H31 Cl N10 Ni O3 S2
Calculated formula	C10 H31 Cl N10 Ni O3 S2
SMILES	[Ni]1234([NH2]CC[NH]1CC[NH2]2)[NH2]CC[NH]3CC[NH2]4.S(=O)([O-])(=N)C1SC(=NN=1)N.[Cl-].O
Title of publication	Bis(diethylenetriamine-κ^3^<i>N</i>)nickel(II) 5-amino-1,3,4-thiadiazole-2-sulfonamidate chloride monohydrate
Authors of publication	Liu-Gonzalez, M.; Sanz-Ruiz, F.; Chufán, Eduardo E.; Pedregosa, Jose C.; Borras-Tortonda, Joaquin
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	10
Pages of publication	1132 - 1134
a	8.378 ± 0.006 Å
b	11.099 ± 0.01 Å
c	23.042 ± 0.012 Å
α	90 ± 0.06°
β	99.44 ± 0.05°
γ	90 ± 0.07°
Cell volume	2114 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0885
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.1486
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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