Information card for entry 7023986

Structure parameters

• Formula: C36 H39 Bi N2 O3 Si2
• Calculated formula: C36 H39 Bi N2 O3 Si2
• SMILES: [Bi]123(O[Si](O[Si](c4ccccc4)(O1)c1ccccc1)(c1ccccc1)c1ccccc1)[N](C)(C)Cc1c3c(C[N]2(C)C)ccc1
• Title of publication: Straightforward synthesis of novel cyclic metallasiloxanes supported by an N,C,N-chelating ligand.
• Authors of publication: Fridrichová, Adéla; Mairychová, Barbora; Padělková, Zdeňka; Lyčka, Antonín; Jurkschat, Klaus; Jambor, Roman; Dostál, Libor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 46
• Pages of publication: 16403 - 16411
• a: 14.144 ± 0.001 Å
• b: 20.3112 ± 0.0012 Å
• c: 11.9648 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3437.3 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No