Information card for entry 4318379

Structure parameters

• Chemical name: 5,6-dihydrodipyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium tetracyanonickelate(ii)
• Formula: C18 H12 N6 Ni
• Calculated formula: C18 H12 N6 Ni
• Title of publication: Tetracyanometalates of Ni, Pd, and Pt with Cyclic Diquaternary Cations of 2,2'-Bipyridine and 1,10-Phenanthroline. A Vibrational, Crystallographic, and Theoretical Study of Intermolecular Weak Interactions
• Authors of publication: Pablo Vitoria; Javier I. Beitia; Juan Manuel Gutiérrez-Zorrilla; Emilio R. Sáiz; Antonio Luque; Maite Insausti; José J. Blanco
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4396 - 4404
• a: 6.555 ± 0.002 Å
• b: 9.426 ± 0.002 Å
• c: 12.436 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 768.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 59
• Hermann-Mauguin space group symbol: P m n m :2
• Hall space group symbol: -P 2c 2a
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections: 1.412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.332
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No