Information card for entry 2010893

Structure parameters

• Chemical name: [1-(Cp)-1-Ti-2-(Me)-3-(SiMe~3~)-2,3-C~2~B~4~H~4~)]~2~
• Formula: C22 H42 B8 Si2 Ti2
• Calculated formula: C22 H42 B8 Si2 Ti2
• SMILES: [Ti]123456789%10([cH]%11[cH]%10[cH]3[cH]2[cH]1%11)[BH]12[BH]3%104[BH]46([BH]613[C]84([C]926C)[Si](C)(C)C)[Ti]1234689%11%10([BH]%10%12[BH]%1351[BH]172[BH]2%10%13[C]31([C]4%122C)[Si](C)(C)C)[cH]1[cH]6[cH]8[cH]9[cH]%111
• Title of publication: The dimeric mixed-ligand titanacarborane sandwich [1-(Cp)-1-Ti-2-(Me)-3-(SiMe~3~)-2,3-C~2~B~4~H~4~]~2~
• Authors of publication: Hosmane, Narayan S.; Zheng, Chong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 525 - 527
• a: 8.231 ± 0.0016 Å
• b: 10.655 ± 0.002 Å
• c: 17.042 ± 0.003 Å
• α: 90°
• β: 102.26 ± 0.03°
• γ: 90°
• Cell volume: 1460.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes