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Information card for entry 7101351
Preview
Coordinates | 7101351.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H39 B7 Mn N O4 P2 |
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Calculated formula | C41 H39 B7 Mn N O4 P2 |
SMILES | [C]123(O)[Mn]456([BH]781[BH]192[BH]234[BH]349[BH]981[BH]157[BH]623[CH]491)(C#[O])(C#[O])C#[O].P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Carbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)} |
Authors of publication | A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone |
Journal of publication | Chemical Communications |
Year of publication | 2006 |
Journal issue | 32 |
a | 14.972 ± 0.002 Å |
b | 15.004 ± 0.003 Å |
c | 17.41 ± 0.003 Å |
α | 90° |
β | 95.022 ± 0.006° |
γ | 90° |
Cell volume | 3895.9 ± 1.1 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0611 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.1038 |
Weighted residual factors for all reflections included in the refinement | 0.1143 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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