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Information card for entry 7031303
Preview
Coordinates | 7031303.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | HS210 |
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Formula | C35 H55 B10 Cu2 N5 P2 |
Calculated formula | C35 H55 B10 Cu2 N5 P2 |
SMILES | C1[P]2(c3c(cccc3)N(C)C)c3c(cccc3)[N](C)(C)[Cu]342[BH]2567[BH]89%103[BH]3%112([BH]2%125[BH]568[BH]689[BH]9%103[BH]3%112[BH]%1256[BH]893)[Cu]247[N](c3c(cccc3)[P]12c1c(cccc1)N(C)C)(C)C.CC#N |
Title of publication | Dinuclear copper complexes: coordination of Group 14 heteroborates. |
Authors of publication | Scheel, Holger; Wiederkehr, Jessica; Eichele, Klaus; Mayer, Hermann A.; Winter, Florian; Pöttgen, Rainer; Wesemann, Lars |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 31 |
Pages of publication | 11867 - 11876 |
a | 35.9745 ± 0.0011 Å |
b | 11.7365 ± 0.0004 Å |
c | 20.8392 ± 0.0006 Å |
α | 90° |
β | 106.497 ± 0.002° |
γ | 90° |
Cell volume | 8436.4 ± 0.5 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0892 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.1024 |
Weighted residual factors for all reflections included in the refinement | 0.1156 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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