Information card for entry 7011995

Structure parameters

• Common name: none
• Chemical name: catena-(bis(4-aminobenzonitrile-N)-bis(?2-thiocyanato-N,S)) nickel(II)
• Formula: C16 H12 N6 Ni S2
• Calculated formula: C16 H12 N6 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: 5.5903 ± 0.0002 Å
• b: 24.6665 ± 0.0011 Å
• c: 12.7539 ± 0.0005 Å
• α: 90°
• β: 100.465 ± 0.002°
• γ: 90°
• Cell volume: 1729.42 ± 0.12 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No