Information card for entry 7031305

Structure parameters

• Common name: JW14
• Formula: C33 H53 B11 Cu2 Ge N4 P2
• Calculated formula: C33 H53 B11 Cu2 Ge N4 P2
• SMILES: [Ge]12345([Cu]67[Cu]891[P](C[P@]6(c1c(cccc1)[N]7(C)C)c1c(N(C)C)cccc1)(c1c([N]9(C)C)cccc1)c1c([N]8(C)C)cccc1)[BH]167[BH]892[BH]2%103[BH]3%114[BH]4%122[BH]2%13%14[BH]8%104[BH]192[BH]16%13[BH]573[BH]%11%12%141
• Title of publication: Dinuclear copper complexes: coordination of Group 14 heteroborates.
• Authors of publication: Scheel, Holger; Wiederkehr, Jessica; Eichele, Klaus; Mayer, Hermann A.; Winter, Florian; Pöttgen, Rainer; Wesemann, Lars
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 31
• Pages of publication: 11867 - 11876
• a: 13.1755 ± 0.0004 Å
• b: 16.9103 ± 0.0004 Å
• c: 19.1784 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4273 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No