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Information card for entry 4312662
Preview
Coordinates | 4312662.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H25 N3 O2 |
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Calculated formula | C21 H25 N3 O2 |
SMILES | O=N(=O)C(=CNc1c(cc(cc1C)C)C)/C=N/c1c(cc(cc1C)C)C |
Title of publication | Substituent Effects of β-Diketiminate Ligands on the Structure and Physicochemical Properties of Copper(II) Complexes |
Authors of publication | Chizu Shimokawa; Seiji Yokota; Yoshimitsu Tachi; Nagatoshi Nishiwaki; Masahiro Ariga; Shinobu Itoh |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 8395 - 8405 |
a | 8.954 ± 0.002 Å |
b | 14.536 ± 0.004 Å |
c | 8.22 ± 0.002 Å |
α | 105.55 ± 0.01° |
β | 109.61 ± 0.01° |
γ | 77.7 ± 0.02° |
Cell volume | 962 ± 0.4 Å3 |
Cell temperature | 158.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.089 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4312662.cif |
120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312662.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312662.cif |
5676 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4312662 via cif-deposit CGI script. |
4312662.cif |
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Users of the data should acknowledge the original authors of the
structural data.