Information card for entry 7201016

Structure parameters

• Formula: C15 H25 Cl2 Mn N5 O
• Calculated formula: C15 H25 Cl2 Mn N5 O
• SMILES: [Mn]1234(Cl)(Cl)[n]5c6cccc5C(=[N]2CC[NH]4CC[NH]3CC[N]1=C6C)C.O
• Title of publication: Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties
• Authors of publication: Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2447
• a: 8.433 ± 0.014 Å
• b: 8.661 ± 0.013 Å
• c: 13.62 ± 0.02 Å
• α: 74.33 ± 0.02°
• β: 77.1 ± 0.02°
• γ: 80.55 ± 0.02°
• Cell volume: 928 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.2052
• Weighted residual factors for all reflections included in the refinement: 0.237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No