Information card for entry 7011998

Structure parameters

• Common name: none
• Chemical name: catena-(bis(?2-4-aminobenzonitrile-N,N)-bis(thiocyanato-N)) nickel(II) 4-aminobenzonitrile clathrate
• Formula: C23 H18 N8 Ni S2
• Calculated formula: C23 H18 N8 Ni S2
• Title of publication: New self-assembled one-dimensional nickel coordination polymers and hydrogen-bonded networks
• Authors of publication: Vujovic, Dejana; Raubenheimer, Helgard G.; Nassimbeni, Luigi R.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 631
• a: 9.3711 ± 0.0001 Å
• b: 13.2066 ± 0.0002 Å
• c: 19.5217 ± 0.0003 Å
• α: 90°
• β: 95.903 ± 0.001°
• γ: 90°
• Cell volume: 2403.2 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No