Information card for entry 4304509

Structure parameters

• Formula: C10 H18 F3 N5 Ni O2
• Calculated formula: C10 H18 F3 N5 Ni O2
• SMILES: [Ni]12([OH]C)([N](=C(C=C(O2)C(F)(F)F)C)CC[N]1(C)C)N=N#[N][Ni]12([OH]C)([N](=C(C=C(O2)C(F)(F)F)C)CC[N]1(C)C)[N](=N#N)[Ni]12([OH]C)([N](=C(C=C(O2)C(F)(F)F)C)CC[N]1(C)C)N=N#[N][Ni]12([OH]C)([N](=C(C=C(O2)C(F)(F)F)C)CC[N]1(C)C)N=N#N
• Title of publication: Nickel(II) Chain with Alternating End-On/End-to-End Single Azido Bridges: A Combined Structural, Magnetic, and Theoretical Study
• Authors of publication: Marie-Laure Bonnet; Christophe Aronica; Guillaume Chastanet; Guillaume Pilet; Dominique Luneau; Corine Mathonière; Rodolphe Clérac; Vincent Robert
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1127 - 1133
• a: 21.57 ± 0.007 Å
• b: 10.79 ± 0.01 Å
• c: 16.154 ± 0.005 Å
• α: 90°
• β: 120.81 ± 0.02°
• γ: 90°
• Cell volume: 3229 ± 3 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1308
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No