Information card for entry 7718009

Structure parameters

• Formula: C36 H62 Ca N2 O3 Si2
• Calculated formula: C36 H62 Ca N2 O3 Si2
• Title of publication: Heavier alkaline earth and heterobimetallic s-block "ate" complexes of a di(amido)siloxane ligand: solid-state structure and dynamic solution-phase behaviour.
• Authors of publication: Haynes, Matthew D.; O'Reilly, Andrea; Poole, Alice J. M.; Roper, Aisling F.; Thum, Stefan; Morris, Louis J.; Coles, Martyn P.; Fulton, J. Robin; Harder, Sjoerd; Turner, Zoë R; O'Hare, Dermot
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 4542 - 4555
• a: 10.30216 ± 0.00017 Å
• b: 20.9676 ± 0.0004 Å
• c: 18.5303 ± 0.0003 Å
• α: 90°
• β: 93.4268 ± 0.0016°
• γ: 90°
• Cell volume: 3995.6 ± 0.12 ų
• Cell temperature: 120.01 ± 0.11 K
• Ambient diffraction temperature: 120.01 ± 0.11 K
• Number of distinct elements: 6
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No