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Information card for entry 4507645
Preview
Coordinates | 4507645.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H52 N10 O12 Sn |
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Calculated formula | C64 H52 N10 O12 Sn |
SMILES | C1(=c2ccc3=C(c4ccncc4)c4ccc5=C(c6ccc7C(=c8ccc1[n]8[Sn](n23)([n]45)(n67)(OC(=O)c1cc(cc(c1)C(=O)O)O)OC(=O)c1cc(cc(c1)C(=O)O)O)c1ccncc1)c1ccncc1)c1ccncc1.C(=O)(C)N(C)C.C(=O)(C)N(C)C |
Title of publication | Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands |
Authors of publication | Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 3 |
Pages of publication | 1342 |
a | 9.7664 ± 0.0006 Å |
b | 10.2018 ± 0.0006 Å |
c | 14.8809 ± 0.0012 Å |
α | 88.89 ± 0.002° |
β | 83.534 ± 0.002° |
γ | 80.719 ± 0.003° |
Cell volume | 1453.94 ± 0.17 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 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 | 0.0783 |
Residual factor for significantly intense reflections | 0.0737 |
Weighted residual factors for significantly intense reflections | 0.1819 |
Weighted residual factors for all reflections included in the refinement | 0.1863 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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