Information card for entry 7705220

Structure parameters

• Formula: C58 H98 N2 O16 Rh4
• Calculated formula: C58 H98 N2 O16 Rh4
• SMILES: [Rh]1234([Rh]5([O]=C(O1)CCCCC)([O]([Rh]1678[Rh]([O]=C(O1)CCCCC)(OC(=[O]6)CCCCC)(OC(=[O]7)CCCCC)([O]=C([O]58)CCCCC)[n]1ccccc1)C(=[O]2)CCCCC)([O]=C(O3)CCCCC)OC(=[O]4)CCCCC)[n]1ccccc1
• Title of publication: Unique vapochromism of a paddlewheel-type dirhodium complex accompanied by dynamic structural and phase transitions.
• Authors of publication: Kataoka, Yusuke; Kohara, Yoshihiro; Yano, Natsumi; Kawamoto, Tatsuya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 14373 - 14377
• a: 30.1315 ± 0.0006 Å
• b: 10.2338 ± 0.00018 Å
• c: 22.3582 ± 0.0004 Å
• α: 90°
• β: 105.984 ± 0.002°
• γ: 90°
• Cell volume: 6627.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No