Information card for entry 4317395

Structure parameters

• Formula: C87 H180 K4 N17 O30 Pb9 W2
• Calculated formula: C87 H180 K4 N17 O30 Pb9 W2
• SMILES: [Pb]123[Pb]456[Pb]781[Pb]192[Pb]234[Pb]345[Pb]567[Pb]681[Pb]923[W]456(C#[O])(C#[O])C#[O].[W]1(C#[O])(C#[O])(C#[O])([NH2]CCN)[NH2]CC[NH2]1.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]7CC[O]6CC9.NCCN.NCCN.NCCN
• Title of publication: Syntheses, Crystal Structures, and Density Functional Theory Calculations of the closo-[1-M(CO)3(η4-E9)]4- (E = Sn, Pb; M = Mo, W) Cluster Anions and Solution NMR Spectroscopic Characterization of [1-M(CO)3(η4-Sn9)]4- (M = Cr, Mo, W)
• Authors of publication: Janette Campbell; Hélène P. A. Mercier; Holger Franke; David P. Santry; David A. Dixon; Gary J. Schrobilgen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 86 - 107
• a: 16.283 ± 0.004 Å
• b: 17.094 ± 0.003 Å
• c: 24.872 ± 0.006 Å
• α: 71.62 ± 0.02°
• β: 82.91 ± 0.02°
• γ: 81.35 ± 0.02°
• Cell volume: 6474 ± 3 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: 0.0696
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections: 0.1312
• Weighted residual factors for significantly intense reflections: 0.1227
• Goodness-of-fit parameter for all reflections: 1.006
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No