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Information card for entry 7032649
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Coordinates | 7032649.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4b |
---|---|
Formula | C102 H164 B20 F12 N8 O34 Rh4 S4 |
Calculated formula | C96 H124 B20 F12 N8 O24 Rh4 S4 |
SMILES | c1cccc2[n]1[Rh]13456([N](=C2)c2c(c(c([N]7=Cc8[n](cccc8)[Rh]89%10%117(OC(=O)[C]7%12%13%14[BH]%15%16%17[BH]%18%19%20[BH]%21%22%23[BH]%24%25%26[BH]%27%28%29[BH]%15%18([C]%20%23%26%28C(=O)O[Rh]%15%18%20%23%26([n]%28ccccc%28C=[N]%15c%15c(c(c([N]%28=Cc%30[n](cccc%30)[Rh]%30%31%32%33%28(OC(=O)[C]%28%34%35%36[BH]%37%38%39[BH]%40%41%42[BH]%43%44%45[BH]%46%47%48[BH]%49%50%51[BH]%37%40([C]%42%45%48%50C(=O)O1)[BH]%36%39%51[BH]%35%47%49[BH]%34%44%46[BH]%28%38%41%43)[c]1([c]%30([c]%31([c]%32([c]%331C)C)C)C)C)c(c%15C)C)C)C)[c]1([c]%26([c]%23([c]%20([c]%181C)C)C)C)C)[BH]%14%17%29[BH]%13%25%27[BH]%12%22%24[BH]7%16%19%21)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)c(c2C)C)C)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].O.O.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].O.O |
Title of publication | Construction of iridium and rhodium cyclometalated macrocycles based on p-carborane and N,N'-donor bridging ligands. |
Authors of publication | Shen, Xu-Yu; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 45 |
Pages of publication | 17200 - 17208 |
a | 13.1486 ± 0.0014 Å |
b | 18.488 ± 0.002 Å |
c | 30.333 ± 0.003 Å |
α | 90° |
β | 102.403 ± 0.002° |
γ | 90° |
Cell volume | 7201.6 ± 1.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
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 | 0.1591 |
Residual factor for significantly intense reflections | 0.0998 |
Weighted residual factors for significantly intense reflections | 0.2777 |
Weighted residual factors for all reflections included in the refinement | 0.3085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
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/7032649.html
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