Information card for entry 4309680

Structure parameters

• Formula: C148 H236 Fe8 N6 O24 Si12
• Calculated formula: C148 H236 Fe8 N6 O24 Si12
• SMILES: N(c1c(cccc1C(C)C)C(C)C)([Si](C)(C)C)[Si]12O[Fe]34O[Si]5(N(c6c(cccc6C(C)C)C(C)C)[Si](C)(C)C)O[Fe]678([O]9CCCC9)[Fe]9%10([O]%11CCCC%11)([O]2[Fe]2%11O[Si]%12(N(c%13c(cccc%13C(C)C)C(C)C)[Si](C)(C)C)O[Fe]%13%14%15([O]%16[Si](N(c%17c(cccc%17C(C)C)C(C)C)[Si](C)(C)C)([O]3[Fe]3%14%16([O]%14CCCC%14)[O]%14[Fe]([O]48)(O5)O[Si](N(c4c(cccc4C(C)C)C(C)C)[Si](C)(C)C)([O]6%10)[O]9[Fe](O[Si]%14(N(c4c(cccc4C(C)C)C(C)C)[Si](C)(C)C)[O]%153)(O%12)[O]2%13)O%11)[O]2CCCC2)[O]17.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C
• 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: 16.129 ± 0.0013 Å
• b: 16.7869 ± 0.0013 Å
• c: 17.4643 ± 0.0014 Å
• α: 61.551 ± 0.004°
• β: 81.352 ± 0.005°
• γ: 86.545 ± 0.005°
• Cell volume: 4109.9 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1466
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No