Information card for entry 7217573

Structure parameters

• Formula: C44 H36 Mo2 N16
• Calculated formula: C44 H36 Mo2 N16
• SMILES: c1(ccncc1)[N]1=CN(c2ccncc2)[Mo]234[Mo]1(N(c1ccncc1)C=[N]2c1ccncc1)(N(C=[N]3c1ccncc1)c1ccncc1)N(C=[N]4c1ccncc1)c1ccncc1
• Title of publication: Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands
• Authors of publication: Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 7385
• a: 17.9447 ± 0.0004 Å
• b: 19.1082 ± 0.0004 Å
• c: 11.5533 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3961.52 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7215484
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No