Information card for entry 2233667

Structure parameters

• Chemical name: Bis(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II)
• Formula: C12 H8 N8 Pd
• Calculated formula: C12 H8 N8 Pd
• SMILES: [Pd]1([n]2cccc3ccc4ccc[n]1c4c23)(N=N#N)N=N#N
• Title of publication: Bis(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II)
• Authors of publication: Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m145
• a: 7.0724 ± 0.0003 Å
• b: 18.3069 ± 0.0007 Å
• c: 19.1309 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2476.95 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No