Information card for entry 1518831

Structure parameters

• Chemical name: 11'
• Formula: C67 H62 B3 Cl8 Cu2 Mn3 O6
• Calculated formula: C67 H62 B3 Cl8 Cu2 Mn3 O6
• SMILES: [Cu]1234([Mn]5678(C#[O])([cH]9[cH]5[cH]6[cH]7[cH]89)(C1=O)B3C(C)(C)C)[Mn]135678([Cu]9%10([Mn]%11%12%13%14([cH]%15[cH]%11[cH]%12[cH]%13[cH]%14%15)(C9=O)(C#[O])B%10C(C)(C)C)(C5=O)[H]48)([cH]4[cH]1[cH]3[cH]6[cH]74)C2=O.Clc1cc(cc(Cl)c1)[B-](c1cc(Cl)cc(Cl)c1)(c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments
• Authors of publication: Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 2989
• a: 11.301 ± 0.004 Å
• b: 14.461 ± 0.003 Å
• c: 21.311 ± 0.007 Å
• α: 97.172 ± 0.014°
• β: 96.19 ± 0.03°
• γ: 102.139 ± 0.018°
• Cell volume: 3345.8 ± 1.8 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: 0.069
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No