Information card for entry 4321193

Structure parameters

• Formula: C43 H27 N4 O3 Rh
• Calculated formula: C43 H27 N4 O3 Rh
• SMILES: [Rh]1(n2c3c4[nH]c(cc4)C(=c4oc(=C(c5[nH]c(C6=[N]1C(=C(c2cc3)c1ccccc1)C=C6)cc5)c1ccccc1)cc4)c1ccccc1)(C#[O])C#[O]
• Title of publication: meso-Aryl Smaragdyrins: Novel Anion and Metal Receptors
• Authors of publication: Bashyam Sridevi; Seenichamy Jeyaprakash Narayanan; Rohini Rao; Tavarekere K. Chandrashekar; Ulrich Englich; Karin Ruhlandt-Senge
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3669 - 3677
• a: 11.836 ± 0.008 Å
• b: 12.495 ± 0.009 Å
• c: 12.67 ± 0.002 Å
• α: 69.09 ± 0.06°
• β: 78.78 ± 0.06°
• γ: 77.02 ± 0.05°
• Cell volume: 1692.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No