Information card for entry 4067549

Structure parameters

• Chemical name: Zn{C(Me2pz)3}Cl
• Formula: C16 H21 Cl N6 Zn
• Calculated formula: C16 H21 Cl N6 Zn
• SMILES: [Zn]12(Cl)[n]3n(c(cc3C)C)C(=n3n1c(cc3C)C)n1[n]2c(cc1C)C
• 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: 7.8808 ± 0.0003 Å
• b: 17.5757 ± 0.0006 Å
• c: 13.2885 ± 0.0005 Å
• α: 90°
• β: 90.282 ± 0.0015°
• γ: 90°
• Cell volume: 1840.58 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0785
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No