Information card for entry 7003563

Structure parameters

• Formula: C32 H60 Fe2 Li2 N6 O14 Sn2
• Calculated formula: C32 H60 Fe2 Li2 N6 O14 Sn2
• SMILES: [Li]1234[O]5[Sn]6([Fe](C#[O])(C#[O])(C#[O])C#[O])([O]7CC[N](C)(C)[Li]7([O]16CCN(C)C)([O]([Sn]([Fe](C#[O])(C#[O])(C#[O])C#[O])[O]2CC[N]4(C)C)CCN(C)C)[O]3CCN(C)C)[N](CC5)(C)C
• Title of publication: The heteronuclear bonding between heavier Group 14 elements and transition metals: a novel trioxystannate‒iron complex with an unusual stannate fragment
• Authors of publication: Khrustalev, Victor N.; Chernov, Oleg V.; Aysin, Rinat R.; Portnyagin, Ivan A.; Nechaev, Mikhail S.; Bukalov, Sergey S.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 9
• Pages of publication: 1140 - 1143
• a: 9.4307 ± 0.0006 Å
• b: 11.2826 ± 0.0007 Å
• c: 11.9436 ± 0.0008 Å
• α: 81.678 ± 0.005°
• β: 75.895 ± 0.005°
• γ: 66.151 ± 0.005°
• Cell volume: 1125.75 ± 0.13 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0241
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No