Information card for entry 7121558

Structure parameters

• Formula: C39 H139 N18 O36 Rh5 S15 Zn4
• Calculated formula: C39 H99 N18 O36 Rh5 S15 Zn4
• Title of publication: Two-step chiral transfer from d-penicillamine to metallosupramolecular ionic crystals.
• Authors of publication: Yasukawa, Yuhei; Yoshinari, Nobuto; Konno, Takumi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 39
• Pages of publication: 5003 - 5006
• a: 13.279 ± 0.009 Å
• b: 13.782 ± 0.01 Å
• c: 14.45 ± 0.01 Å
• α: 95.771 ± 0.015°
• β: 94.901 ± 0.01°
• γ: 96.534 ± 0.016°
• Cell volume: 2601 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2126
• Weighted residual factors for all reflections included in the refinement: 0.241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No