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Information card for entry 7011889
Preview
Coordinates | 7011889.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H48 Br2 N4 Ni P2 Pt |
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Calculated formula | C68 H48 Br2 N4 Ni P2 Pt |
SMILES | [Pt](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C1=c2n3[Ni]45[n]6c(=C(c7n5c(C(=c5[n]4c(C(=c3cc2)c2ccccc2)cc5)Br)cc7)c2ccccc2)ccc16 |
Title of publication | Peripherally-metallated porphyrins: preparations, spectroscopic properties and structural studies of trans-[PtBr(MDPP)(PPh3)2](DPP = dianion of 5,15-diphenylporphyrin, M = MnCl, Co, Ni, Zn) and related meso-η1-organoplatinum porphyrins |
Authors of publication | Hodgson, Margaret J.; Healy, Peter C.; Williams, Michael L.; Arnold, Dennis P. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 23 |
Pages of publication | 4497 |
a | 14.252 ± 0.006 Å |
b | 15.381 ± 0.006 Å |
c | 13.474 ± 0.005 Å |
α | 105.86 ± 0.03° |
β | 91.2 ± 0.03° |
γ | 78.23 ± 0.04° |
Cell volume | 2780 ± 2 Å3 |
Cell temperature | 293.2 K |
Ambient diffraction temperature | 295.2 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 | 0.0653 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for all reflections | 0.035 |
Weighted residual factors for all reflections included in the refinement | 0.032 |
Goodness-of-fit parameter for all reflections | 1.426 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.53 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7011889.html
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