Information card for entry 7127779

Structure parameters

• Formula: C20 H14 Br Cl Mn N3 O4
• Calculated formula: C20 H14 Br Cl Mn N3 O4
• 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: 7.6931 ± 0.0007 Å
• b: 17.523 ± 0.0015 Å
• c: 30.345 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4090.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.1397
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No