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Information card for entry 7704270
Preview
Coordinates | 7704270.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H31 B9 Ni |
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Calculated formula | C14 H31 B9 Ni |
SMILES | [Ni]1234567([C]8(=[C]1([C]2(=[C]38CC)CC)CC)CC)[CH]123[CH]894[BH]4%105[BH]5%116[BH]671[BH]17%11[BH]%11%105[BH]584[BH]439[BH]261[BH]7%1154 |
Title of publication | Synthesis and reactivity of cyclobutadiene nickel bromide. |
Authors of publication | Shvydkiy, Nikita V.; Dlin, Egor A.; Ivanov, Klimentiy V.; Buyanovskaya, Anastasiya G.; Nelyubina, Yulia V.; Perekalin, Dmitry S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 20 |
Pages of publication | 6801 - 6806 |
a | 7.9405 ± 0.0004 Å |
b | 9.2273 ± 0.0005 Å |
c | 13.9856 ± 0.0007 Å |
α | 83.818 ± 0.001° |
β | 80.472 ± 0.001° |
γ | 70.034 ± 0.001° |
Cell volume | 948.39 ± 0.08 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for significantly intense reflections | 0.0752 |
Weighted residual factors for all reflections included in the refinement | 0.079 |
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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