Information card for entry 2009095

Structure parameters

• Chemical name: (tpp)Zr(Cl)[N(SiMe~3~)~2~] (tpp = 5,10,15,20-tetraphenylporphyrinato dianion)
• Formula: C50 H46 Cl N5 Si2 Zr
• Calculated formula: C50 H46 Cl N5 Si2 Zr
• SMILES: [Zr]123(Cl)(n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: The first amidozirconium(IV)‒porphyrin complex: <i>cis</i>-[bis(trimethylsilyl)amido]chloro(tetraphenylporphyrinato)zirconium(IV)
• Authors of publication: Kim, Hee-Joon; Kim, Kimoon
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1814 - 1815
• a: 11.9557 ± 0.0007 Å
• b: 12.111 ± 0.0007 Å
• c: 17.931 ± 0.001 Å
• α: 99.79 ± 0.001°
• β: 98.943 ± 0.001°
• γ: 114.365 ± 0.001°
• Cell volume: 2255.8 ± 0.2 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 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: 0.039
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes