Information card for entry 7005968

Structure parameters

• Formula: C15 H29 N3
• Calculated formula: C15 H29 N3
• SMILES: N12CC(CNC2=NCC(C1)(CC)CC)(CC)CC
• 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: 5.8325 ± 0.0016 Å
• b: 10.569 ± 0.003 Å
• c: 12.505 ± 0.004 Å
• α: 93.964 ± 0.005°
• β: 96.108 ± 0.005°
• γ: 97.355 ± 0.005°
• Cell volume: 757.5 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No