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Information card for entry 7015590
Preview
Coordinates | 7015590.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H12 Cl4 N18 Zn5 |
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Calculated formula | C12 H12 Cl4 N18 Zn5 |
SMILES | c1n2[n]3[Zn]4567n8[n]9cc[n]8[Zn]8([n]%10cc[n](n5%10)[Zn]([n]5ccn([n]75)[Zn]9([n]5cc[n](n45)[Zn]2(n2cc[n]8[n]62)Cl)Cl)([n]3c1)Cl)Cl |
Title of publication | Photophysical properties of Kuratowski-type coordination compounds [M(II)Zn(4)Cl(4)(Me(2)bta)(6)] (M(II) = Zn or Ru) featuring long-lived excited electronic states. |
Authors of publication | Liu, Ying-Ya; Grzywa, Maciej; Tonigold, Markus; Sastre, German; Schüttrigkeit, Tanja; Leeson, Nicholas S.; Volkmer, Dirk |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 22 |
Pages of publication | 5926 - 5938 |
a | 14.937 ± 0.003 Å |
b | 14.937 ± 0.003 Å |
c | 12.059 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2690.5 ± 1 Å3 |
Cell temperature | 220 ± 2 K |
Ambient diffraction temperature | 220 ± 2 K |
Number of distinct elements | 5 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.0291 |
Residual factor for significantly intense reflections | 0.0225 |
Weighted residual factors for significantly intense reflections | 0.0477 |
Weighted residual factors for all reflections included in the refinement | 0.0495 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | mokα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179859 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/55. |
7015590.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015590.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015590.cif |
21197 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015589, 7015590 via cif-deposit CGI script. |
7015590.cif |
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