Information card for entry 7127780

Structure parameters

• Formula: C25.75 H18 Br1.25 Cl0.25 Mn N4 O2.75 S
• Calculated formula: C25.823 H18 Br1.177 Mn N4 O2.823 S
• Title of publication: CO release from Mn(i)-based photoCORMs with single photons in the phototherapeutic region.
• Authors of publication: Stenger-Smith, Jenny; Chakraborty, Indranil; Ouattara, Ramatoulaye; Sameera, W. M. C.; Rue, Kelly; Mascharak, Pradip
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 9
• Pages of publication: 1101 - 1104
• a: 13.6697 ± 0.0017 Å
• b: 22.226 ± 0.003 Å
• c: 8.017 ± 0.001 Å
• α: 90°
• β: 99.76 ± 0.003°
• γ: 90°
• Cell volume: 2400.5 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.1786
• Residual factor for significantly intense reflections: 0.1002
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No