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Information card for entry 4083907
Preview
Coordinates | 4083907.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55.6667 H44 Cl2 N5 O2 Rh |
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Calculated formula | C53.3333 H39 Cl N5 O2 Rh |
SMILES | c12=C(c3ccc4=C(c5ccc6C(=c7ccc8C(=c(cc1)n2[Rh](Cc1ccc(cc1)N(=O)=O)([n]78)(n56)[n]34)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.ClC(Cl)Cl.CCCCCC |
Title of publication | Alkylation of Rhodium Porphyrins Using Ammonium and Quinolinium Salts |
Authors of publication | Thompson, Samuel J.; Dong, Guangbin |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 14 |
Pages of publication | 3757 |
a | 18.1346 ± 0.0011 Å |
b | 34.955 ± 0.002 Å |
c | 22.1283 ± 0.0011 Å |
α | 90° |
β | 101.472 ± 0.003° |
γ | 90° |
Cell volume | 13746.8 ± 1.3 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0596 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.0973 |
Weighted residual factors for all reflections included in the refinement | 0.1106 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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