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Information card for entry 4068942
Preview
Coordinates | 4068942.cif |
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Original paper (by DOI) | HTML |
Formula | C41 H38 N2 O7 Sn2 |
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Calculated formula | C41 H38 N2 O7 Sn2 |
SMILES | [Sn]([OH2])(OC(=O)c1[nH]nc(c1)C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O |
Title of publication | Reactions of 3,5-Pyrazoledicarboxylic Acid with Organotin Chlorides and Oxides. Coordination Polymers Containing Organotin Macrocycles |
Authors of publication | Chandrasekhar, Vadapalli; Thirumoorthi, Ramalingam |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 7 |
Pages of publication | 2096 |
a | 10.7938 ± 0.001 Å |
b | 13.0634 ± 0.0012 Å |
c | 15.3001 ± 0.0014 Å |
α | 76.496 ± 0.002° |
β | 70.748 ± 0.001° |
γ | 72.021 ± 0.002° |
Cell volume | 1916.3 ± 0.3 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 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 | 0.0498 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.0978 |
Weighted residual factors for all reflections included in the refinement | 0.1025 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/4068942.html
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