Information card for entry 4067547

Structure parameters

• Chemical name: Ca{C(Me2pz)3}{N(SiMe3)2}(THF)
• Formula: C26 H47 Ca N7 O Si2
• Calculated formula: C26 H47 Ca N7 O Si2
• SMILES: [Ca]12(n3n(c(cc3C)C)=C(n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O]1CCCC1
• 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: 39.3059 ± 0.0004 Å
• b: 8.599 ± 0.0016 Å
• c: 20.6529 ± 0.0008 Å
• α: 90°
• β: 110.691 ± 0.002°
• γ: 90°
• Cell volume: 6530.3 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2091
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections: 0.3168
• Weighted residual factors for significantly intense reflections: 0.2927
• Weighted residual factors for all reflections included in the refinement: 0.3168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9778
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No