Information card for entry 7227354

Structure parameters

• Common name: 2-Nitro-12,13-bis(4-formylphenyl)-5,10,15,20-tetraphenylporphyrin nickel(II) complex
• Chemical name: 2-Nitro-12,13-bis(4-formylphenyl)-5,10,15,20-tetraphenylporphyrinatonickel(II)
• Formula: C233 H141 Cl3 N20 Ni4 O16
• Calculated formula: C233 H141 Cl3 N20 Ni4 O16
• Title of publication: An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors.
• Authors of publication: Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 6
• Pages of publication: 4530 - 4540
• a: 13.236 ± 0.003 Å
• b: 16.471 ± 0.003 Å
• c: 24.435 ± 0.005 Å
• α: 90.79 ± 0.03°
• β: 103.49 ± 0.03°
• γ: 96.01 ± 0.03°
• Cell volume: 5148 ± 2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.17
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No