Information card for entry 7031308

Structure parameters

• Common name: HS183
• Formula: C41 H73 B20 Cu2 N7 P2 Sn2
• Calculated formula: C41 H73 B20 Cu2 N7 P2 Sn2
• SMILES: C([P]12c3c(cccc3)[N](C)(C)[Cu]2([N](c2c1cccc2)(C)C)[N]#CC)[P]12c3c(cccc3)[N](C)(C)[Cu]2([N](c2c1cccc2)(C)C)[N]#CC.[CH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%141([BH]1%152[BH]235[BH]368[BH]59%11[BH]%12%141[BH]%15235)[Sn]47%10%13.[CH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%141([BH]1%152[BH]235[BH]368[BH]59%11[BH]%12%141[BH]%15235)[Sn]47%10%13.C(#N)C
• 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: 10.5306 ± 0.0003 Å
• b: 14.5334 ± 0.0004 Å
• c: 20.3679 ± 0.0006 Å
• α: 92.217 ± 0.002°
• β: 95.158 ± 0.002°
• γ: 107.583 ± 0.002°
• Cell volume: 2952.42 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No