Information card for entry 7231798

Structure parameters

• Common name: Dibromo-tetra(3-cyanopyridine)nickelat
• Chemical name: Dibromo-tetra(3-cyanopyridine)nickelat
• Mineral name: NiBr2(3cypy)4
• Formula: C24 H16 Br2 N8 Ni
• Calculated formula: C24 H16 Br2 N8 Ni
• SMILES: [n]1(cc(ccc1)C#N)[Ni]([n]1cc(ccc1)C#N)([n]1cc(ccc1)C#N)([n]1cc(ccc1)C#N)(Br)Br
• Title of publication: 3-Cyanopyridine as a bridging and terminal ligand in coordination polymers
• Authors of publication: Heine, Miriam; Fink, Lothar; Schmidt, Martin U.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 46
• Pages of publication: 7556
• a: 10.9722 ± 0.0009 Å
• b: 10.9722 ± 0.0009 Å
• c: 10.46 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1259.27 ± 0.15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 104
• Hermann-Mauguin space group symbol: P 4 n c
• Hall space group symbol: P 4 -2n
• Residual factor R(I) for significantly intense reflections: 0.0044
• Goodness-of-fit parameter for all reflections: 1.856
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No