Information card for entry 7014752

Structure parameters

• Formula: C72 H82 Cu2 F24 N8 O P4
• Calculated formula: C72 H80 Cu2 F24 N8 O P4
• SMILES: [Cu]([F][P](F)(F)(F)(F)F)([F][P](F)(F)(F)(F)F)([n]1ccc(cc1)C)([n]1ccc(cc1)C)([n]1ccc(cc1)C)[n]1ccc(cc1)C.[Cu]([F][P](F)(F)(F)(F)F)([OH2])([n]1ccc(cc1)C)([n]1ccc(cc1)C)([n]1ccc(cc1)C)[n]1ccc(cc1)C.[P](F)(F)(F)(F)(F)[F-].c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Diverse structures and adsorption properties of quasi-Werner-type copper(ii) complexes with flexible and polar axial bonds.
• Authors of publication: Noro, Shin-Ichiro; Ohba, Tomonori; Fukuhara, Katsuo; Takahashi, Yukiko; Akutagawa, Tomoyuki; Nakamura, Takayoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2268 - 2274
• a: 11.3833 ± 0.0006 Å
• b: 11.465 ± 0.0005 Å
• c: 16.2264 ± 0.0008 Å
• α: 75.6619 ± 0.0017°
• β: 83.2147 ± 0.0015°
• γ: 89.1992 ± 0.0014°
• Cell volume: 2037.11 ± 0.17 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 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 significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No