Information card for entry 7005966

Structure parameters

• Formula: C14 H32 Cl N3 O3
• Calculated formula: C14 H30 Cl N3 O3
• SMILES: C(C(/C=N/O)(CC)CC)[NH2+]CC(/C=N/O)(CC)CC.O.[Cl-]
• 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: 12.5762 ± 0.0009 Å
• b: 21.295 ± 0.004 Å
• c: 6.689 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1791.4 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No