Information card for entry 7241015

Structure parameters

• Formula: C34 H76 Co N2 O6 S2 Si2
• Calculated formula: C34 H76 Co N2 O6 S2 Si2
• SMILES: C(C)(C)(C)O[Si](OC(C)(C)C)(OC(C)(C)C)S[Co]([NH]1CCCCC1)([NH]1CCCCC1)S[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
• Title of publication: Novel tetrahedral cobalt(ii) silanethiolates: structures and magnetism
• Authors of publication: Kowalkowska-Zedler, Daria; Nedelko, Natalia; Kazimierczuk, Katarzyna; Aleshkevych, Pavlo; Łyszczek, Renata; Ślawska-Waniewska, Anna; Pladzyk, Agnieszka
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 49
• Pages of publication: 29100 - 29108
• a: 33.4655 ± 0.0011 Å
• b: 10.0373 ± 0.0002 Å
• c: 27.9753 ± 0.0008 Å
• α: 90°
• β: 107.496 ± 0.003°
• γ: 90°
• Cell volume: 8962.3 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No