Information card for entry 2008752

Structure parameters

• Chemical name: μ-azido-[μ-4-(3-methyl-2-pyridylamino)-1-(3-methyl-2-pyridylimino)- 1,2-dihydrophthalazin-2-yl]bis[azidocopper(II)]
• Formula: C20 H17 Cu2 N15
• Calculated formula: C20 H17 Cu2 N15
• SMILES: [Cu]12([n]3c(Nc4[n]1[n]1[Cu]([N]2=N#N)(n2cccc(c2=Nc1c1ccccc41)C)N=N#N)c(ccc3)C)N=N#N
• Title of publication: [Cu~2~{1,4-bis[(3-methyl-2-pyridyl)amino]phthalazine –H}(N~3~)~3~] at 40K
• Authors of publication: Goeta, Andres E.; Thompson, Laurence K.; Sheppard, Christopher L.; Tandon, Santokh S.; Lehmann, Christian W.; Cosier, John; Webster, Craig; Howard, Judith A.K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1243 - 1246
• a: 8.904 ± 0.002 Å
• b: 14.657 ± 0.003 Å
• c: 17.19 ± 0.003 Å
• α: 90°
• β: 92.266 ± 0.005°
• γ: 90°
• Cell volume: 2241.6 ± 0.8 ų
• Cell temperature: 40 ± 2 K
• Ambient diffraction temperature: 30 ± 2 K
• Number of distinct elements: 4
• 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: 0.04
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.063
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes