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Information card for entry 4301341
Preview
Coordinates | 4301341.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C71 H74 Cl13 N5 Ni O Pt |
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Calculated formula | C71 H74 Cl13 N5 Ni O Pt |
SMILES | c12=C3C4C=CC5=C(c6ccc7C(=C8C=CC9C(=c(cc1c1cccc[n]1[Pt]3(C#[O])Cl)n2[Ni]([N]8=9)(n67)[N]=45)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C.C(Cl)(Cl)(Cl)Cl.C(Cl)(Cl)(Cl)Cl.C(Cl)(Cl)(Cl)Cl |
Title of publication | Double Cleavage of sp2 C-H and sp3 C-H Bonds on One Metal Center: DMF-Appended Cyclometalated Platinum(II) and -(IV) Porphyrins |
Authors of publication | Shigeru Yamaguchi; Hiroshi Shinokubo; Atsuhiro Osuka |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 795 - 797 |
a | 11.841 ± 0.005 Å |
b | 16.521 ± 0.005 Å |
c | 19.62 ± 0.005 Å |
α | 99.387 ± 0.005° |
β | 103.85 ± 0.005° |
γ | 93.508 ± 0.005° |
Cell volume | 3656 ± 2 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.094 |
Residual factor for significantly intense reflections | 0.0807 |
Weighted residual factors for significantly intense reflections | 0.2242 |
Weighted residual factors for all reflections included in the refinement | 0.2353 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4301341.html
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