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Information card for entry 7034564
Preview
Coordinates | 7034564.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H43 Cu F12 N5 O4 P2 |
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Calculated formula | C40 H43 Cu F12 N5 O4 P2 |
SMILES | C1COc2ccccc2OCCOc2ccc(cc2)C[NH]2CC[NH]3CC[NH](Cc4ccc(cc4)O1)[Cu]123[n]2cccc3ccc4ccc[n]1c4c23.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Amino-ether macrocycle that forms Cu(II) templated threaded heteroleptic complexes: a detailed selectivity, structural and theoretical investigations. |
Authors of publication | Santra, Saikat; Mukherjee, Sandip; Bej, Somnath; Saha, Subrata; Ghosh, Pradyut |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 34 |
Pages of publication | 15198 - 15211 |
a | 19.5 ± 0.006 Å |
b | 10.305 ± 0.003 Å |
c | 24.405 ± 0.007 Å |
α | 90° |
β | 105.74 ± 0.008° |
γ | 90° |
Cell volume | 4720 ± 2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0635 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for significantly intense reflections | 0.143 |
Weighted residual factors for all reflections included in the refinement | 0.1493 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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