Information card for entry 7102976

Structure parameters

• Formula: C97 H94 Cl3 N6 O7 Rh3
• Calculated formula: C97 H94 Cl3 N6 O7 Rh3
• SMILES: [Rh]1([N]2=C3C(=C(C2=C(c2n1c(c(c2CC)CC)c1ccc(cc1)c1n2[Rh]([N]4C(=C(c2c(c1CC)CC)c1ccccc1)C(=C(C=4c1ccc(cc1)C1=[N]2[Rh](n4c(C(=C2C(=C1CC)CC)c1ccccc1)c(c(c4c1ccc3cc1)CC)CC)(C#[O])C#[O])CC)CC)(C#[O])C#[O])c1ccccc1)CC)CC)(C#[O])C#[O].C(Cl)(Cl)Cl.C(=O)(C)C
• Title of publication: Synthesis and dynamic structure of multinuclear Rh complexes of porphyrinoids.
• Authors of publication: Setsune, Jun-ichiro; Toda, Masayuki; Yoshida, Takafumi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 12
• Pages of publication: 1425 - 1427
• a: 10.392 ± 0.0006 Å
• b: 31.0783 ± 0.0017 Å
• c: 14.7868 ± 0.0008 Å
• α: 90°
• β: 109.944 ± 0.001°
• γ: 90°
• Cell volume: 4489.2 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No