Information card for entry 4082942

Structure parameters

• Formula: C68 H104 N8 O4 S10 Sn6
• Calculated formula: C68 H104 N8 O4 S10 Sn6
• SMILES: C1(C)([Sn]234S[Sn]56(C(C)(C)CC(=[N]5NC(=O)CC57CC8(CC(CC(C7)C8)C5)CC(=O)N[N]4=C(C1)C)C)[S]2[Sn]1(S3)(S6)S[Sn]23([S]4[Sn]56(C(C)(C)CC(C)=[N]5NC(=O)CC57CC8(CC(=O)N[N]9=C(CC(C)(C)[Sn]49(S6)S3)C)CC(C5)CC(C7)C8)S2)S1)C.Cc1cc(C)ccc1.Cc1cccc(c1)C
• Title of publication: Diamondoid Hydrazones and Hydrazides: Sterically Demanding Ligands for Sn/S Cluster Design
• Authors of publication: Barth, Beatrix E. K.; Tkachenko, Boryslav A.; Eußner, Jens P.; Schreiner, Peter R.; Dehnen, Stefanie
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1678
• a: 13.0677 ± 0.0006 Å
• b: 30.6876 ± 0.0011 Å
• c: 10.9754 ± 0.0004 Å
• α: 90°
• β: 102.965 ± 0.002°
• γ: 90°
• Cell volume: 4289.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0743
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No