Information card for entry 1518828

Structure parameters

• Chemical name: 09'_staggered
• Formula: C46 H40 Ag B3 Cl8 Mn2 O4
• Calculated formula: C46 H40 Ag B3 Cl8 Mn2 O4
• SMILES: [Ag]1234([Mn]5678(C#[O])(C1=O)([cH]1[cH]8[cH]7[cH]6[cH]51)B3C(C)(C)C)[Mn]1356([cH]7[cH]1[cH]3[cH]5[cH]67)(C#[O])(C2=O)B4C(C)(C)C.Clc1cc(cc(Cl)c1)[B-](c1cc(Cl)cc(Cl)c1)(c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1
• 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: 18.444 ± 0.009 Å
• b: 33.901 ± 0.013 Å
• c: 17.285 ± 0.005 Å
• α: 90°
• β: 113.909 ± 0.017°
• γ: 90°
• Cell volume: 9880 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No