Information card for entry 7007792

Structure parameters

• Formula: C49.5 H57 Cl3 N10 Ni2 O4
• Calculated formula: C49.5 H56 Cl3 N10 Ni2 O4
• Title of publication: Ferromagnetic vs. antiferromagnetic coupling in bis(mu2-1,1-azido)dinickel(II) complexes with syn- and anti-conformations of the end-on azide bridges.
• Authors of publication: Chaudhuri, Phalguni; Wagner, Rita; Khanra, Sumit; Weyhermüller, Thomas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 41
• Pages of publication: 4962 - 4968
• a: 15.0786 ± 0.0004 Å
• b: 17.7144 ± 0.0006 Å
• c: 19.7912 ± 0.0006 Å
• α: 90°
• β: 106.806 ± 0.004°
• γ: 90°
• Cell volume: 5060.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No