Information card for entry 4305280

Structure parameters

• Formula: C6 H24 N12 Ni3 O4
• Calculated formula: C6 H24 N12 Ni3 O4
• SMILES: C12C(=[O][Ni](O2)([NH3])([NH3])([NH3])[NH3])O[Ni]([NH3])([NH3])([O]=1)([NH3])[NH3].C(#N)[Ni](C#N)(C#N)C#N
• Title of publication: Synthesis of New Copper Cyanide complexes via the Transformation of Organonitrile to Inorganic Cyanide
• Authors of publication: Hong Deng; Yongcai Qiu; Carole Daiguebonne; Nicolas Kerbellec; Olivier Guillou; Matthias Zeller; Stuart R. Batten
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5866 - 5872
• a: 24.6282 ± 0.0005 Å
• b: 6.5516 ± 0.0001 Å
• c: 13.2914 ± 0.0002 Å
• α: 90°
• β: 116.011 ± 0.001°
• γ: 90°
• Cell volume: 1927.39 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0664
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No