Information card for entry 2012424

Structure parameters

• Chemical name: Diazido μ~1,3~-azidotetra(1,10-phenanthroline) diCopper(II) azide tetrahydrate
• Formula: C24 H20 Cu N10 O2
• Calculated formula: C24 H20 Cu N10 O2
• SMILES: [N-]=N#N.c1ccc2c3c4c(ccc[n]4[Cu]4(N=N#N)([n]13)[n]1cccc3c1c1[n]4cccc1cc3)cc2.O.O
• Title of publication: μ~1,3~-Azido-diazidotetrakis(1,10-phenanthroline)dicopper(II) azide tetrahydrate
• Authors of publication: Cheng, Ya-Qian; Hu, Mao-Lin; Wang, Shun; Ye, Ming-De
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: m12 - m13
• a: 8.676 ± 0.005 Å
• b: 11.843 ± 0.008 Å
• c: 12.279 ± 0.008 Å
• α: 80.81 ± 0.01°
• β: 71.74 ± 0.01°
• γ: 84.6 ± 0.01°
• Cell volume: 1181.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes