Information card for entry 4323633

Structure parameters

• Chemical name: Bisaqua-[N,N'-dimethyl-N,N'-bis(mercaptoethyl)propylenediamine]nickel(II) dihydrate
• Formula: C8 H26 N2 Ni O10 S2
• Calculated formula: C8 H26 N2 Ni O10 S2
• SMILES: C1C[N]2(C)CC[N]3([Ni]2(OS1(=O)=O)(OS(=O)(=O)CC3)([OH2])[OH2])C.O.O
• Title of publication: A Unique Mononuclear Nickel Disulfonato Complex Obtained by Oxidation of a Mononuclear Nickel Dithiolate Complex
• Authors of publication: Richard K. Henderson; Elisabeth Bouwman; Anthony L. Spek; Jan Reedijk
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4616 - 4617
• a: 14.478 ± 0.0008 Å
• b: 9.4442 ± 0.0005 Å
• c: 12.5055 ± 0.0007 Å
• α: 90°
• β: 100.907 ± 0.004°
• γ: 90°
• Cell volume: 1679.03 ± 0.16 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.066
• Goodness-of-fit parameter for all reflections: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No