Information card for entry 7007082

Structure parameters

• Formula: C21 H45 N11 Ni2 O7
• Calculated formula: C21 H45 N11 Ni2 O7
• Title of publication: Targeted construction of azido-bridged Ni4 complexes with decisive effect of mu-1,3-azide torsion on the spin ground state.
• Authors of publication: Demeshko, Serhiy; Leibeling, Guido; Dechert, Sebastian; Meyer, Franc
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 28
• Pages of publication: 3458 - 3465
• a: 8.1582 ± 0.0004 Å
• b: 16.9656 ± 0.0011 Å
• c: 22.337 ± 0.0012 Å
• α: 90°
• β: 97.861 ± 0.004°
• γ: 90°
• Cell volume: 3062.6 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0427
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No