Information card for entry 8102021

Structure parameters

• Chemical name: dicyano-(N-(1-iminoethyl)acetamidine)palladium(II)
• Formula: C6 H9 N5 Pd
• Calculated formula: C6 H9 N5 Pd
• SMILES: [Pd]1([NH]=C(NC(=[NH]1)C)C)(C#N)C#N
• Title of publication: Crystal structure of dicyano(N-(1-iminoethyl)-acetamidine)palladium (II), Pd(CN)~2~(C~4~H~9~N~3~)
• Authors of publication: Keller, H.-L.; Oldag, T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 379 - 380
• a: 6.9056 ± 0.0014 Å
• b: 7.371 ± 0.0015 Å
• c: 8.7838 ± 0.0018 Å
• α: 80.67 ± 0.03°
• β: 82.27 ± 0.03°
• γ: 73.3 ± 0.03°
• Cell volume: 420.75 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No