Information card for entry 4337802

Structure parameters

• Common name: H4FcTPP
• Formula: C100 H66 Fe N8 O4
• Calculated formula: C100 H66 Fe N8 O4
• SMILES: O(c1ccc(C2=c3ccc(=C(c4nc(=C(c5[nH]c(cc5)C(=c5nc2cc5)c2ccccc2)c2ccccc2)cc4)c2ccccc2)[nH]3)cc1)C(=O)[c]12[cH]3[cH]4[cH]5[Fe]6789134([c]1(C(=O)Oc3ccc(C4=c%10ccc(=C(c%11nc(=C(c%12[nH]c(cc%12)C(=c%12nc4cc%12)c4ccccc4)c4ccccc4)cc%11)c4ccccc4)[nH]%10)cc3)[cH]6[cH]8[cH]7[cH]91)[cH]25
• Title of publication: Highly Enhanced Bisignate Circular Dichroism of Ferrocene-Bridged Zn(II) Bisporphyrin Tweezer with Extended Chiral Substrates due to Well-Matched Host-Guest System.
• Authors of publication: Brahma, Sanfaori; Ikbal, Sk Asif; Dhamija, Avinash; Rath, Sankar Prasad
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2381 - 2395
• a: 41.643 ± 0.013 Å
• b: 14.469 ± 0.005 Å
• c: 17.265 ± 0.006 Å
• α: 90°
• β: 113.899 ± 0.007°
• γ: 90°
• Cell volume: 9511 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1648
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2105
• Weighted residual factors for all reflections included in the refinement: 0.247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No