Information card for entry 7011999

Structure parameters

• Common name: none
• Chemical name: catena-(bis(?2-3-aminobenzonitrile-N,N)-bis(thiocyanato-N) nickel(II) benzene clathrate
• Formula: C11 H9 N3 Ni0.5 S
• Calculated formula: C11 H9 N3 Ni0.5 S
• 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: 8.6743 ± 0.0005 Å
• b: 7.2741 ± 0.0005 Å
• c: 17.4386 ± 0.0012 Å
• α: 90°
• β: 99.754 ± 0.002°
• γ: 90°
• Cell volume: 1084.43 ± 0.12 ų
• Cell temperature: 293 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No