Information card for entry 4077808

Structure parameters

• Chemical name: tetracarbonyl-{1-[μ-O,O'-(2,6-diphenylmethyl)carbamato]-2-(p-chlorophenyl)} vinylmanganese tetracarbonyl-[1-(2,6-dimethyliminum)-2-(p-chlorobenzyl)]ethyl manganese
• Formula: C41 H30 Cl2 Mn2 N2 O10
• Calculated formula: C41 H30 Cl2 Mn2 N2 O10
• SMILES: [Mn]1([O]=C(O[Mn](C#[O])(C#[O])(C#[O])(C#[O])=C(Nc2c(cccc2C)C)Cc2ccc(Cl)cc2)N(/C1=C/c1ccc(Cl)cc1)c1c(cccc1C)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: CNR and CO Insertion Reactions of 2,6-Xylyl Isocyanide withp-Chlorobenzylpentacarbonylmanganese
• Authors of publication: Becker, Thomas M.; Alexander, John J.; Krause Bauer, Jeanette A.; Nauss, Jeffrey L.; Wireko, Fred C.
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 5594
• a: 11.841 ± 0.002 Å
• b: 12.16 ± 0.002 Å
• c: 15.94 ± 0.003 Å
• α: 97.18 ± 0.03°
• β: 105.32 ± 0.03°
• γ: 98.4 ± 0.03°
• Cell volume: 2157.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No