Information card for entry 4319437

Structure parameters

• Formula: C56 H32 N4 O4 Rh2 S2
• Calculated formula: C56 H32 N4 O4 Rh2 S2
• SMILES: c12ccc(C(=c3ccc4[n]3[Rh](n3c4ccc3C(c3ccccc3)=c3ccc(=C(c4ccc5n4[Rh]([n]4c5ccc4=C2c2ccccc2)(C#[O])C#[O])c2ccccc2)s3)(C#[O])C#[O])c2ccccc2)s1
• Title of publication: Interaction of Rh(I) with meso-Arylsapphyrins and -Rubyrins: First Structural Characterization of Bimetallic Hetero-rubyrin Complex
• Authors of publication: Seenichamy Jeyaprakash Narayanan; Bashyam Sridevi; Tavarekere K. Chandrashekar; Ulrich Englich; Karin Ruhlandt-Senge
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1637 - 1645
• a: 13.2046 ± 0.0002 Å
• b: 16.8107 ± 0.0003 Å
• c: 20.3873 ± 0.0003 Å
• α: 90°
• β: 93.386 ± 0.001°
• γ: 90°
• Cell volume: 4517.64 ± 0.12 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No