Information card for entry 4349764

Structure parameters

• Formula: C25 H19 Br Mn N5 O4
• Calculated formula: C25 H19 Br Mn N5 O4
• SMILES: [Mn]1(C#[O])(Br)([n]2c3ccccc3[nH]c2c2[n]1c(c1nc3c([nH]1)cccc3)ccc2)(C#[O])C#[O].O=C(C)C
• Title of publication: The CO release properties of κ2N1,N2Mn(i) tricarbonyl photoCORMs with tridentate benzimidazole coligands
• Authors of publication: Mansour, Ahmed M.; Friedrich, Alexandra
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 1517
• a: 28.855 ± 0.011 Å
• b: 6.95 ± 0.003 Å
• c: 25.152 ± 0.009 Å
• α: 90°
• β: 106.66 ± 0.03°
• γ: 90°
• Cell volume: 4832 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0411
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No