Information card for entry 7000247

Structure parameters

• Common name: Chisholm 1609
• Formula: C30 H46 B I Mg N6 O3
• Calculated formula: C30 H46 B I Mg N6 O3
• Title of publication: Synthesis and coordination chemistry of TpC*MI complexes where M = Mg, Ca, Sr, Ba and Zn and TpC* = tris[3-(2-methoxy-1,1-dimethyl)pyrazolyl]hydroborate
• Authors of publication: Chisholm, Malcolm H.; Gallucci, Judith C.; Yaman, Gulsah
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 2
• Pages of publication: 368 - 374
• a: 14.9023 ± 0.0002 Å
• b: 14.9023 ± 0.0002 Å
• c: 14.9023 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3309.48 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No