Information card for entry 7023555

Structure parameters

• Formula: C194 H128 N10 Zn2
• Calculated formula: C194 H128 N10 Zn2
• SMILES: [Zn]123([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4c(c5c1ccccc1)c1ccccc1)c1ccccc1)c(c2c1ccccc1)c1ccccc1)c1ccccc1)c(c3c1ccccc1)c1ccccc1)c1ccccc1)c(c6c1ccccc1)c1ccccc1)c1ccccc1)[n]1ccc(cc1)c1cc[n]([Zn]234[n]5c6=C(c7n4c(C(=c4[n]3c(C(=c3n2c(=C(c5c(c6c2ccccc2)c2ccccc2)c2ccccc2)c(c3c2ccccc2)c2ccccc2)c2ccccc2)c(c4c2ccccc2)c2ccccc2)c2ccccc2)c(c7c2ccccc2)c2ccccc2)c2ccccc2)cc1
• Title of publication: Control of the spatial arrangements of supramolecular networks based on saddle-distorted porphyrins by intermolecular hydrogen bonding.
• Authors of publication: Ishizuka, Tomoya; Sankar, Muniappan; Kojima, Takahiko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 45
• Pages of publication: 16073 - 16079
• a: 17.044 ± 0.003 Å
• b: 36.306 ± 0.006 Å
• c: 25.196 ± 0.005 Å
• α: 90°
• β: 94.573 ± 0.003°
• γ: 90°
• Cell volume: 15542 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.1223
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No