Information card for entry 4303668

Structure parameters

• Formula: C5 H11 Cl N6 O
• Calculated formula: C5 H11 Cl N6 O
• SMILES: NC(N=C(n1nccc1)N)=[NH2+].[Cl-].O
• Title of publication: Syntheses, Structures, and Magnetic Properties of Tetramanganese(III) and Hexamanganese(III) Complexes Containing Derivative of Biguanidate Ligand: Ferromagnetic Interaction via Imino Nitrogen
• Authors of publication: Asako Igashira-Kamiyama; Takashi Kajiwara; Motohiro Nakano; Takumi Konno; Tasuku Ito
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11388 - 11393
• a: 12.4347 ± 0.0016 Å
• b: 5.2803 ± 0.0007 Å
• c: 14.927 ± 0.002 Å
• α: 90°
• β: 104.904 ± 0.003°
• γ: 90°
• Cell volume: 947.1 ± 0.2 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• 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: 0.0504
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No