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Information card for entry 7016328
Preview
Coordinates | 7016328.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H38 B11 Bi Cl5 N O |
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Calculated formula | C17 H38 B11 Bi Cl5 N O |
SMILES | [Bi]12(Cl)[N](Cc3cccc(C[O]2C(C)(C)C)c13)(C)C.ClCCl.ClCCl.[BH]1234[BH]567[BH]89%10[BH]%11%12%13[CH]%14%15%16[BH]%171([BH]125[BH]268[BH]%14%171[BH]%10%13%162)[BH]4%12%15[BH]379%11 |
Title of publication | OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavage. |
Authors of publication | Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav; De Proft, Frank |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 35 |
Pages of publication | 8922 - 8934 |
a | 9.1429 ± 0.0007 Å |
b | 11.978 ± 0.0004 Å |
c | 15.2951 ± 0.0009 Å |
α | 71.583 ± 0.006° |
β | 81.044 ± 0.006° |
γ | 87.254 ± 0.007° |
Cell volume | 1569.85 ± 0.17 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 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 | 0.0368 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0696 |
Weighted residual factors for all reflections included in the refinement | 0.0734 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 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/7016328.html
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structural data.