Information card for entry 8107172

Structure parameters

• Formula: C34 H26 Mn N4 O5
• Calculated formula: C34 H26 Mn N4 O5
• SMILES: [Mn]123(OC(=O)c4[n]3c(ccc4)c3ccccc3)(OC(=O)c3[n]2c(ccc3)c2ccccc2)[n]2c(c3[n]1cccc3)cccc2.O
• Title of publication: The crystal structure of (2,2′-bipyridine-κ2 N,N′)- bis(6-phenylpyridine-2-carboxylate-κ2 N,O)manganese(II)] monohydrate, C34H26N4O5Mn
• Authors of publication: Tai, Xi-Shi; Wang, Li-Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 627 - 630
• a: 29.433 ± 0.0018 Å
• b: 10.412 ± 0.0006 Å
• c: 20.0207 ± 0.0012 Å
• α: 90°
• β: 107.246 ± 0.006°
• γ: 90°
• Cell volume: 5859.6 ± 0.6 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No