Information card for entry 7005963

Structure parameters

• Formula: C10 H21 N3 O2
• Calculated formula: C10 H21 N3 O2
• SMILES: O/N=C/C(CNCC(/C=N/O)(C)C)(C)C
• Title of publication: Increasing the solubility of strong reducing agents containing Mo(2)(4+) units and alkyl-substituted guanidinate ligands.
• Authors of publication: Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 35
• Pages of publication: 3943 - 3951
• a: 19.4244 ± 0.0018 Å
• b: 19.4244 ± 0.0018 Å
• c: 6.8427 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2581.8 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1289
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No