Information card for entry 4076198

Structure parameters

• Formula: C13 H18 B Cl Mo N4 O3 S2 Sn
• Calculated formula: C13 H18 B Cl Mo N4 O3 S2 Sn
• SMILES: [Sn]1([Mo]2(C#[O])(C#[O])(C#[O])[S]1=c1n([BH2]n3c(=[S]2)n(cc3)C)ccn1C)(Cl)(C)C
• Title of publication: Novel Heterobimetallic Coordination of the H2B(mt)2Ligand: The Complex [Mo(SnMe2Cl)(CO)3{μ-S:κ3-H,S,S‘-H2B(mt)2}] (mt = methimazolyl)
• Authors of publication: Foreman, Mark R. St.-J.; Hill, Anthony F.; Smith, Matthew K.; Tshabang, Never
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 5224
• a: 9.66 ± 0.0019 Å
• b: 21.43 ± 0.004 Å
• c: 10.21 ± 0.002 Å
• α: 90°
• β: 96.6 ± 0.03°
• γ: 90°
• Cell volume: 2099.6 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No