Information card for entry 8101695

Structure parameters

• Chemical name: [K([2.2.2]crypt)]4[Sn9Mo(CO)3](C2H8N2)2
• Formula: C79 H160 K4 Mo N12 O27 Sn9
• Calculated formula: C79 H160 K4 Mo N12 O27 Sn9
• SMILES: C(#[O])[Mo]123(C#[O])(C#[O])[Sn]456[Sn]78[Sn]9%10[Sn]%1147[Sn]479[Sn]9%10[Sn]27([Sn]15%114)[Sn]3689.C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]81CC[O]1CC[O](CC4)[K]2356781.C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]81CC[O]1CC[O](CC4)[K]2356781.C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]81CC[O]1CC[O](CC4)[K]2356781.C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]81CC[O]1CC[O](CC4)[K]2356781.C(CN)N.C(CN)N
• Title of publication: Crystal structure of tetrakis[([2.2.2]crypt)potassium]tricarbonylmolybdenum (0) nonastannide ethylenediamine disolvate, [K(C~18~H~36~O~6~N~2~)] ~4~[Mo(CO)~3~Sn~9~] · 2C~2~H~8~N~2~
• Authors of publication: L. Yong; S. D. Hoffmann; T. F. Fässler
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 1
• Pages of publication: 53 - 57
• a: 15.4208 ± 0.0001 Å
• b: 16.2851 ± 0.0001 Å
• c: 25.94 ± 0.0002 Å
• α: 80.2284 ± 0.0003°
• β: 79.1115 ± 0.0003°
• γ: 63.2406 ± 0.0002°
• Cell volume: 5685.23 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No