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Information card for entry 4507648
Preview
Coordinates | 4507648.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H48 N8 O13 Sn |
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Calculated formula | C58 H48 N8 O13 Sn |
SMILES | c12=C(c3ccc4C(=c5ccc6C(=c7ccc8=C(c(cc1)[n]2[Sn](n78)([n]56)(n34)(OC(=O)C1C[C@H](C[C@H](C1)C(=O)O)C(=O)O)OC(=O)C1C[C@@H](C[C@@H](C1)C(=O)O)C(=O)O)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1.O |
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 | 9.4016 ± 0.0002 Å |
b | 30.7877 ± 0.0008 Å |
c | 11.8342 ± 0.0003 Å |
α | 90° |
β | 90.9904 ± 0.0018° |
γ | 90° |
Cell volume | 3424.94 ± 0.14 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1192 |
Residual factor for significantly intense reflections | 0.0704 |
Weighted residual factors for significantly intense reflections | 0.1483 |
Weighted residual factors for all reflections included in the refinement | 0.1651 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4507648.html
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Users of the data should acknowledge the original authors of the
structural data.