Information card for entry 4067553

Structure parameters

• Chemical name: Mg{C(Me2pz)3}{C(pz)3}
• Formula: C26 H30 Mg N12
• Calculated formula: C26 H30 Mg N12
• SMILES: [C-]12n3[n](c(cc3C)C)[Mg]34([n]5n1c(C)cc5C)([n]1n2c(C)cc1C)[n]1n([C-](n2[n]3ccc2)n2[n]4ccc2)ccc1
• Title of publication: Syntheses and Structural Diversity of Group 2 and Group 12 Tris(pyrazolyl)methaneand Zwitterionic Tris(pyrazolyl)methanideCompounds
• Authors of publication: Cushion, Michael G.; Meyer, Jens; Heath, Alex; Schwarz, Andrew D.; Fernández, Ignacio; Breher, Frank; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1174
• a: 35.6839 ± 0.0011 Å
• b: 13.3948 ± 0.0004 Å
• c: 8.075 ± 0.0003 Å
• α: 90°
• β: 94.3134 ± 0.0015°
• γ: 90°
• Cell volume: 3848.7 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections: 0.1035
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No