Information card for entry 7024399

Structure parameters

• Formula: C11 H20 N6 O
• Calculated formula: C11 H20 N6 O
• SMILES: N1(C2=NCCN2CC1)CN1C2=NCCN2CC1.O
• Title of publication: Coordination of neutral, methylene bridged bis-guanidyls at palladium.
• Authors of publication: Khalaf, Majid S.; Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1635 - 1642
• a: 7.2368 ± 0.0004 Å
• b: 12.4194 ± 0.0008 Å
• c: 13.7735 ± 0.0011 Å
• α: 90°
• β: 95.158 ± 0.004°
• γ: 90°
• Cell volume: 1232.9 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0922
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No