Information card for entry 7048380

Structure parameters

• Formula: C22.31 H35.62 B2 Cl2.31 F8 N6 O0.35 Pd
• Calculated formula: C22.31 H35.62 B2 Cl2.308 F8 N6 O0.346 Pd
• Title of publication: Control over coordination self-assembly of flexible, multidentate ligands by stepwise metal coordination of isopyrazole subunits.
• Authors of publication: Ashida, Yoshiko; Manabe, Yumehiro; Yoshioka, Shota; Yoneda, Tomoki; Inokuma, Yasuhide
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 3
• Pages of publication: 818 - 822
• a: 25.6757 ± 0.0006 Å
• b: 21.3064 ± 0.0006 Å
• c: 11.7797 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6444.2 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 40
• Hermann-Mauguin space group symbol: A m a 2
• Hall space group symbol: A 2 -2a
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No