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Information card for entry 7218344
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Coordinates | 7218344.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5,10,15,20-tetra(4-hydroxyphenyl)-21,23H-porphyrin nitrobenzene hexasolvate |
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Formula | C80 H60 N10 O16 |
Calculated formula | C80 H60 N10 O16 |
Title of publication | Isomorphous free-base, Ni(ii)- and Cu(ii)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures |
Authors of publication | Seidel, Rüdiger W.; Goddard, Richard; Oppel, Iris M. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 45 |
Pages of publication | 10505 |
a | 27.4518 ± 0.0011 Å |
b | 27.4518 ± 0.0011 Å |
c | 18.2099 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 13723 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 103 |
Hermann-Mauguin space group symbol | P 4 c c |
Hall space group symbol | P 4 -2c |
Residual factor for all reflections | 0.0845 |
Residual factor for significantly intense reflections | 0.0776 |
Weighted residual factors for significantly intense reflections | 0.2015 |
Weighted residual factors for all reflections included in the refinement | 0.2099 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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