Information card for entry 4077807

Structure parameters

• Chemical name: 1,1,1,1-tetracarbonyl-2,3-bis[2,6-(dimethylphenyl)imino]-3-(p-chlorobenzyl) -4-(2,6-dimethylphenyl)-4-azamangancylopent-4-ene
• Formula: C38 H33 Cl Mn N3 O4
• Calculated formula: C38 H33 Cl Mn N3 O4
• 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: 10.3169 ± 0.0005 Å
• b: 19.6021 ± 0.0008 Å
• c: 17.1131 ± 0.0008 Å
• α: 90°
• β: 99.888 ± 0.001°
• γ: 90°
• Cell volume: 3409.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1463
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No