Information card for entry 7713533

Structure parameters

• Formula: C49 H32 Br4 Mg N7
• Calculated formula: C49 H32 Br4 Mg N7
• SMILES: c12C(=c3ccc4=C(c5ccc6=C(c7ccc(cc7)Br)c7ccc8C(=c(cc1)[n]2[Mg](n34)([n]56)(n78)[n]1c(cnc1)CCN)c1ccc(cc1)Br)c1ccc(cc1)Br)c1ccc(cc1)Br
• Title of publication: Histamine-bound magnesium porphyrins: diverse coordination modes, inhibitory role in photodegradation of chlorophyll a and antioxidant activity
• Authors of publication: Choudhury, Abdul K.; Sarkar, Rudra; Bhuyan, Jagannath
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.951 ± 0.005 Å
• b: 13.513 ± 0.005 Å
• c: 19.734 ± 0.005 Å
• α: 71.346 ± 0.005°
• β: 83.878 ± 0.005°
• γ: 81.022 ± 0.005°
• Cell volume: 2727.9 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2647
• Weighted residual factors for all reflections included in the refinement: 0.2888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No