Information card for entry 4321392

Structure parameters

• Formula: C56 H44 Cl Cr N6 O
• Calculated formula: C56 H42 Cl Cr N6 O
• SMILES: [Cr]123(Cl)(=O)[n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1.n1ccccc1C.n1ccccc1C
• Title of publication: Laser Photolysis of Chromium(III) Porphyrins with Axial Pyridines in Dichloromethane and Toluene Solutions. Novel Effects of a Hydrogen Bond in the Ligand Exchange Reaction
• Authors of publication: Masahiko Inamo; Hideyuki Nakaba; Kiyohiko Nakajima; Mikio Hoshino
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4417 - 4423
• a: 11.7727 ± 0.0005 Å
• b: 19.277 ± 0.002 Å
• c: 10.387 ± 0.0003 Å
• α: 90.104 ± 0.008°
• β: 105.424 ± 0.005°
• γ: 89.935 ± 0.007°
• Cell volume: 2272.3 ± 0.3 ų
• Cell temperature: 298.2 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 significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 2.043
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No