Information card for entry 7013105

Structure parameters

• Formula: C19 H28 Mn N O6 P Re S3
• Calculated formula: C19 H28 Mn N O6 P Re S3
• SMILES: [Re]12([S]3[Mn]([S]1C(=[S]2)N(C)C)(C3=P(C(C)C)(C(C)C)C(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Building of dithiocarbamate and dithiocarbimate ligands within a heterobimetallic core
• Authors of publication: Jing Li; Daniel Miguel; Dolores Morales; Víctor Riera; Angel Aguirre-Pérez; Santiago García-Granda
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 16
• Pages of publication: 3264 - 3269
• a: 9.3336 ± 0.0016 Å
• b: 10.872 ± 0.002 Å
• c: 15.337 ± 0.004 Å
• α: 72.04 ± 0.03°
• β: 86.19 ± 0.02°
• γ: 65.948 ± 0.018°
• Cell volume: 1348.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.151
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No