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Information card for entry 7121183
Preview
Coordinates | 7121183.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C108 H108 N12 O28 P4 Pd12 |
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Calculated formula | C108 H108 N12 O28 P4 Pd12 |
SMILES | [C@@H](C)(c1ccccc1)[N]12P3(=O)[N]4([Pd]51[O]=C1C(=[O][Pd]6(O1)[N]1([C@H](C)c7ccccc7)P7(=O)[N]8([C@H](C)c9ccccc9)[Pd]9([O]=C%10C(O9)=[O][Pd]9([N]%11([C@H](C)c%12ccccc%12)P%12(=O)[N]%13([C@H](C)c%14ccccc%14)[Pd]%14%11[O]=C%11C(O%14)=[O][Pd]4(O%11)[N]3([C@H](C)c3ccccc3)[Pd]32[O]=C2C(O3)=[O][Pd]3([N]4([C@H](C)c%11ccccc%11)P%11(=O)[N]3([C@H](C)c3ccccc3)[Pd]3([O]=C%14C(O3)=[O][Pd]%13([N]9%12[C@H](C)c3ccccc3)O%14)[N]%11([C@H](C)c3ccccc3)[Pd]34[O]=C4C(O3)=[O][Pd]18O4)O2)O%10)[N]67[C@H](C)c1ccccc1)O5)[C@H](C)c1ccccc1 |
Title of publication | Imido-P(v) trianion supported enantiopure neutral tetrahedral Pd(ii) cages. |
Authors of publication | Rajasekar, Prabhakaran; Pandey, Swechchha; Paithankar, Harshad; Chugh, Jeetender; Steiner, Alexander; Boomishankar, Ramamoorthy |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2018 |
Journal volume | 54 |
Journal issue | 15 |
Pages of publication | 1873 - 1876 |
a | 28.288 Å |
b | 28.288 Å |
c | 28.288 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 22636.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 196 |
Hermann-Mauguin space group symbol | F 2 3 |
Hall space group symbol | F 2 2 3 |
Residual factor for all reflections | 0.0609 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.0802 |
Weighted residual factors for all reflections included in the refinement | 0.0917 |
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/7121183.html
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