Information card for entry 4069519

Structure parameters

• Formula: C72 H76 Br4 O22 Sb4 Si4
• Calculated formula: C72 H56 Br4 O22 Sb4 Si4
• SMILES: c1(ccc(cc1)Br)[Sb]1234[O]5[Sb]67([O]8[Sb]9([O]1[Sb]58(O[Si](c1ccccc1)(O9)c1ccccc1)(O[Si](c1ccccc1)(O6)c1ccccc1)c1ccc(Br)cc1)(c1ccc(cc1)Br)([O]27)O[Si](O4)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(O3)c1ccccc1)c1ccc(Br)cc1.O.O.O.O.O.O.O.O.O.O
• Title of publication: Organoantimony(V) Oxido Cubane Cluster [(p-X-C6H4Sb)4(O)4(Ph2SiO2)4] (X = Cl, Br) Stabilized by Diphenyldisiloxides
• Authors of publication: Prabhu, M. Santhana Raj; Jami, Ananda Kumar; Baskar, Viswanathan
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3953
• a: 24.949 ± 0.004 Å
• b: 15.262 ± 0.003 Å
• c: 24.924 ± 0.004 Å
• α: 90°
• β: 111.458 ± 0.003°
• γ: 90°
• Cell volume: 8833 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0647
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No