Information card for entry 7034892

Structure parameters

• Common name: Ni-mononitroheptachloroporphyrin
• Chemical name: 2-Nitro-3,7,8,12,13,17,18-heptachloro-meso-tetraphenylporphyrinato Ni(II)
• Formula: C44 H20 Cl7 N6 Ni O0.5
• Calculated formula: C44 H20 Cl7 N6 Ni O0.5
• Title of publication: Ratiometric and colorimetric "naked eye" selective detection of CN(-) ions by electron deficient Ni(ii) porphyrins and their reversibility studies.
• Authors of publication: Kumar, Ravi; Chaudhri, Nivedita; Sankar, Muniappan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 9149 - 9157
• a: 14.4707 ± 0.0009 Å
• b: 27.1087 ± 0.0015 Å
• c: 10.802 ± 0.0006 Å
• α: 90°
• β: 110.527 ± 0.002°
• γ: 90°
• Cell volume: 3968.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0752
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No