Information card for entry 7119595

Structure parameters

• Formula: C60 H72 B2 Fe2 Ga2 N4 O8
• Calculated formula: C60 H72 B2 Fe2 Ga2 N4 O8
• SMILES: B1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Ga]1[Fe](C#[O])(C#[O])(C#[O])(C#[O])[Ga](B2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Fe]1(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Boryl substituted group 13 metallylenes: complexes with an iron carbonyl fragment.
• Authors of publication: Dange, Deepak; Sindlinger, Christian P.; Aldridge, Simon; Jones, Cameron
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 149 - 152
• a: 13.955 ± 0.0011 Å
• b: 11.3797 ± 0.0008 Å
• c: 20.3233 ± 0.0016 Å
• α: 90°
• β: 109.513 ± 0.004°
• γ: 90°
• Cell volume: 3042.1 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No