Information card for entry 7036343

Structure parameters

• Formula: C70 H60 Br2 Mn2 N4 O14
• Calculated formula: C70.0006 H60 Br2.0006 Mn2 N4 O14.0006
• 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: 9.8813 ± 0.0003 Å
• b: 12.6032 ± 0.0007 Å
• c: 14.2018 ± 0.0007 Å
• α: 99.25 ± 0.004°
• β: 102.363 ± 0.004°
• γ: 94.534 ± 0.004°
• Cell volume: 1693.31 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0893
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No