Information card for entry 7036345

Structure parameters

• Formula: C38 H29 Br2 Cl8 Mn2 N4 O14
• Calculated formula: C38.04 H29.508 Br2.04 Cl8 Mn2 N4 O14.04
• Title of publication: Self-assembly of a fac-Mn(CO)3-core containing dinuclear metallacycles using flexible ditopic linkers.
• Authors of publication: Karthikeyan, S.; Nagarajaprakash, R.; Satheesh, Garisekurthi; Ashok Kumar, Chowan; Manimaran, Bala
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17389 - 17398
• a: 12.5491 ± 0.0004 Å
• b: 13.3073 ± 0.0007 Å
• c: 15.8423 ± 0.0006 Å
• α: 90°
• β: 107.932 ± 0.004°
• γ: 90°
• Cell volume: 2517.06 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0788
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No