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Information card for entry 7000743
Preview
Coordinates | 7000743.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C96 H98 B2 Ir N O P Rh |
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Calculated formula | C96 H97 B2 Ir N O P Rh |
SMILES | [Ir]123456([Rh]789%10%11([n]%12c([P]1(c1ccccc1)c1ccccc1)cccc%12)([c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)[CH2]=[C]6%11c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.O=C(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis and reactivity of homo- and hetero-dimetallic complexes bridged by diphenyl-2-pyridylphosphine and hydrides: regioselectivity of alkyne insertion into unsaturated M1(μ-PPh2Py)(μ-H)2M2 moieties |
Authors of publication | Takahashi, Yoshinori; Murakami, Naoaki; Fujita, Ken-ichi; Yamaguchi, Ryohei |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 11 |
Pages of publication | 2029 - 2042 |
a | 13.9146 ± 0.0004 Å |
b | 15.6332 ± 0.0004 Å |
c | 18.0394 ± 0.0006 Å |
α | 90.8843 ± 0.001° |
β | 96.7389 ± 0.001° |
γ | 90.0164 ± 0.0007° |
Cell volume | 3896.5 ± 0.2 Å3 |
Cell temperature | 173 ± 1 K |
Ambient diffraction temperature | 173 ± 1 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0516 |
Weighted residual factors for all reflections included in the refinement | 0.0609 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
Diffraction radiation wavelength | 0.71075 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/7000743.html
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Users of the data should acknowledge the original authors of the
structural data.