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Information card for entry 1512745
Preview
Coordinates | 1512745.cif |
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Original paper (by DOI) | HTML |
Formula | C44 H49 N4 O2 Sr |
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Calculated formula | C44 H49 N4 O2 Sr |
SMILES | [Sr]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C |
Title of publication | Synthesis and characterization of the heavy alkaline earth aryloxide congeners |
Authors of publication | Timothy J. Boyle; Leigh Anna M. Steele; Alia Saad |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2013 |
Journal volume | 394 |
Pages of publication | 259 - 268 |
a | 14.8727 ± 0.0015 Å |
b | 17.7921 ± 0.0018 Å |
c | 17.3089 ± 0.0017 Å |
α | 90° |
β | 103.892 ± 0.001° |
γ | 90° |
Cell volume | 4446.3 ± 0.8 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0511 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.1107 |
Weighted residual factors for all reflections included in the refinement | 0.117 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.931 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1512745.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1512745.cif |
90821 | 2013-11-19 | cif/ Adding structures of 1512745 via cif-deposit CGI script. |
1512745.cif |
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Users of the data should acknowledge the original authors of the
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