Information card for entry 7211839

Structure parameters

• Common name: [Ni(II)(dipic)(diazobpe)](H2O)(diazobpe)0.5
• Formula: C22 H17 N7 Ni O5
• Calculated formula: C22 H17 N7 Ni O5
• Title of publication: Transition metal dipicolinates as designer T-shaped building blocks
• Authors of publication: Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1576
• a: 13.1967 ± 0.0007 Å
• b: 15.847 ± 0.0008 Å
• c: 10.6187 ± 0.0005 Å
• α: 90°
• β: 100.31 ± 0.002°
• γ: 90°
• Cell volume: 2184.81 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.69 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No