Information card for entry 4067551

Structure parameters

• Chemical name: Zn{C(Me2pz)3}2
• Formula: C32 H42 N12 Zn
• Calculated formula: C32 H42 N12 Zn
• SMILES: [C-]12n3[n](c(cc3C)C)[Zn]34([n]5n1c(C)cc5C)([n]1n2c(cc1C)C)[n]1n([C-](n2[n]3c(cc2C)C)n2[n]4c(cc2C)C)c(C)cc1C
• 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: 8.6651 ± 0.0017 Å
• b: 9.833 ± 0.002 Å
• c: 10.499 ± 0.002 Å
• α: 67.21 ± 0.03°
• β: 86.58 ± 0.03°
• γ: 81.81 ± 0.03°
• Cell volume: 816.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No