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Information card for entry 4001709
Preview
Coordinates | 4001709.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H24 Cu4 I4 Mn2 N5 O11 |
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Calculated formula | C27 H24 Cu4 I4 Mn2 N5 O11 |
Title of publication | Cluster-Organic Framework Materials as Heterogeneous Catalysts for High Efficient Addition Reaction of Diethylzinc to Aromatic Aldehydes |
Authors of publication | Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian |
Journal of publication | Chemistry of Materials |
Year of publication | 2012 |
Journal volume | 24 |
Journal issue | 24 |
Pages of publication | 4711 |
a | 18.0043 ± 0.0008 Å |
b | 21.1164 ± 0.0009 Å |
c | 18.1594 ± 0.0014 Å |
α | 90° |
β | 93.344 ± 0.005° |
γ | 90° |
Cell volume | 6892.2 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.1141 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1308 |
Weighted residual factors for all reflections included in the refinement | 0.1479 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.86 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001709.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4001709.cif |
72003 | 2013-01-21 | cif/ Adding structures of 4001707, 4001708, 4001709 via cif-deposit CGI script. |
4001709.cif |
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Users of the data should acknowledge the original authors of the
structural data.