Information card for entry 7250981

Structure parameters

• Formula: C105 H162 Cl18 Cu6 N12 O6
• Calculated formula: C105 H162 Cl18 Cu6 N12 O6
• Title of publication: Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents
• Authors of publication: Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 43
• Pages of publication: 6987 - 6999
• a: 28.934 ± 0.001 Å
• b: 18.033 ± 0.0006 Å
• c: 23.2794 ± 0.0008 Å
• α: 90°
• β: 101.016 ± 0.002°
• γ: 90°
• Cell volume: 11922.6 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0517
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No