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Information card for entry 7107894
Preview
Coordinates | 7107894.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H13 Cl2 F20 N5 O4 Rh2 |
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Calculated formula | C54 H13 Cl2 F20 N5 O4 Rh2 |
SMILES | c12ccc3C(=c4ccc(C(=c5ccc(C(=c6ccc7=C(c8ccc(=C1)[n]8[Rh](C#[O])(C#[O])n67)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)n5)c1c(c(c(c(c1F)F)F)F)F)[n]4[Rh](C#[O])(C#[O])n23)c1c(c(c(c(c1F)F)F)F)F.C(Cl)Cl |
Title of publication | A non-fused mono-meso-free pentaphyrin and its rhodium(I) complex |
Authors of publication | Tomoki Yoneda; Hirotaka Mori; Dongho Kim; Byung Lee; Min-Chul Yoon; Atsuhiro Osuka |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 6785 |
a | 26.9166 ± 0.0005 Å |
b | 14.9711 ± 0.0003 Å |
c | 24.9775 ± 0.0004 Å |
α | 90° |
β | 90.1129 ± 0.0008° |
γ | 90° |
Cell volume | 10065.2 ± 0.3 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0937 |
Residual factor for significantly intense reflections | 0.0675 |
Weighted residual factors for significantly intense reflections | 0.1502 |
Weighted residual factors for all reflections included in the refinement | 0.1754 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7107894.html
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Users of the data should acknowledge the original authors of the
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