Information card for entry 4076945

Structure parameters

• Formula: C49.5 H36 Cl3 Mo2 N0 O8.5 S3 Sn3
• Calculated formula: C49.5 H35 Cl3 Mo2 O8.5 S3 Sn3
• Title of publication: Unexpected Formation of the Novel Pentanuclear Heterodimetallic Metallamacrocycle {p-[(CO)3MoC5H4C(O)]2C6H4}Ph4Sn3S3
• Authors of publication: Tang, Liang-Fu; Chai, Jian-Fang; Wang, Zhi-Hong; Jia, Wen-Li; Wang, Ji-Tao
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 17
• Pages of publication: 3675
• a: 12.8 ± 0.004 Å
• b: 14.624 ± 0.005 Å
• c: 17.632 ± 0.006 Å
• α: 84.342 ± 0.006°
• β: 71.524 ± 0.005°
• γ: 64.114 ± 0.005°
• Cell volume: 2813.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No