Information card for entry 7023554

Structure parameters

• Formula: C210 H160 N10 O12 Zn2
• Calculated formula: C210 H160 N10 O12 Zn2
• SMILES: [Zn]123(n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4c(c5c1ccccc1)c1ccccc1)c1ccc(O)cc1)c(c2c1ccccc1)c1ccccc1)c1ccc(O)cc1)c(c3c1ccccc1)c1ccccc1)c1ccc(O)cc1)c(c6c1ccccc1)c1ccccc1)c1ccc(O)cc1)[n]1ccc(cc1)c1cc[n]([Zn]234n5c6=C(c7[n]4c(=C(c4n3c(C(=c3[n]2c(C(=c5c(c6c2ccccc2)c2ccccc2)c2ccc(O)cc2)c(c3c2ccccc2)c2ccccc2)c2ccc(O)cc2)c(c4c2ccccc2)c2ccccc2)c2ccc(O)cc2)c(c7c2ccccc2)c2ccccc2)c2ccc(O)cc2)cc1.O1CCCC1.C1COCC1.O1CCCC1.O1CCCC1
• 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: 21.25 ± 0.008 Å
• b: 21.596 ± 0.008 Å
• c: 22.033 ± 0.008 Å
• α: 83.03 ± 0.005°
• β: 79.946 ± 0.006°
• γ: 89.807 ± 0.006°
• Cell volume: 9881 ± 6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No