Information card for entry 7000251

Structure parameters

• Common name: Chisholm 1604
• Formula: C24 H40 B I N6 O3 Zn
• Calculated formula: C24 H40 B I N6 O3 Zn
• SMILES: I[Zn]12[n]3c(ccn3[BH](n3ccc(C(C)(C)COC)[n]13)n1ccc(C(C)(C)COC)[n]21)C(C)(COC)C
• 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: 12.0891 ± 0.0001 Å
• b: 12.0891 ± 0.0001 Å
• c: 34.8231 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4407.44 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No