Information card for entry 4309679

Structure parameters

• Formula: C72 H144 Co4 N4 O16 P4 Si8
• Calculated formula: C73.5 H144 Co4 N4 O16 P4 Si8
• SMILES: [Co]12([O]=P(C)(C)C)[O]3[Si](N([Si](C)(C)C)c4c(cccc4C(C)C)C(C)C)(O)O[Co]4([O]=P(C)(C)C)[O]5[Co]([O]=P(C)(C)C)([O]4[Si](N([Si](C)(C)C)c4c(cccc4C(C)C)C(C)C)(O1)O)O[Si](N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)(O)[O]2[Co]3([O]=P(C)(C)C)O[Si]5(N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)O
• Title of publication: Polyhedral Cobalt(II) and Iron(II) Siloxanes: Synthesis and X-ray Crystal Structure of [(RSi(OH)O2)Co(OPMe3)]4 and [(RSiO3)2(RSi(OH)O2)4(μ3-OH)2Fe8(THF)4] (R = (2,6-iPr2C6H3)N(SiMe3))
• Authors of publication: Umesh N. Nehete; Herbert W. Roesky; Hongping Zhu; Sharanappa Nembenna; Hans-Georg Schmidt; Mathias Noltemeyer; Dmitrij Bogdanov; Konrad Samwer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7243 - 7248
• a: 28.705 ± 0.006 Å
• b: 27.685 ± 0.006 Å
• c: 29.579 ± 0.006 Å
• α: 90°
• β: 106.41 ± 0.03°
• γ: 90°
• Cell volume: 22549 ± 9 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• 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: 0.2562
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1844
• Goodness-of-fit parameter for all reflections included in the refinement: 0.697
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No