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Information card for entry 4327266
Preview
Coordinates | 4327266.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H44 As4 Cl F6 N2 P Ru |
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Calculated formula | C40 H44 As4 Cl F6 N2 P Ru |
Title of publication | Syntheses and Quadratic Optical Nonlinearities of Ruthenium(II) Complexes with Ethynyl-Connected N-Methylpyridinium Electron Acceptors |
Authors of publication | Benjamin J. Coe; Josephine L. Harries; Madeleine Helliwell; Bruce S. Brunschwig; James A. Harris; Inge Asselberghs; Sheng-Ting Hung; Koen Clays; Peter N. Horton; Michael B. Hursthouse |
Journal of publication | Inorganic Chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Pages of publication | 1215 - 1227 |
a | 34.075 ± 0.007 Å |
b | 9.3403 ± 0.0019 Å |
c | 32.136 ± 0.006 Å |
α | 90° |
β | 102.73 ± 0.03° |
γ | 90° |
Cell volume | 9977 ± 4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 8 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.2359 |
Residual factor for significantly intense reflections | 0.1333 |
Weighted residual factors for significantly intense reflections | 0.3419 |
Weighted residual factors for all reflections included in the refinement | 0.3956 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.251 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179375 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/72. |
4327266.cif |
171494 | 2015-12-14 | cod/ (antanas@echidna.ibt.lt) Removing publication details from _chemical_name_systematic and _chemical_name_common tag values in multiple entries. |
4327266.cif |
120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327266.cif |
60982 | 2012-06-20 | cif/ Adding structures of 4327266 via cif-deposit CGI script. |
4327266.cif |
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Users of the data should acknowledge the original authors of the
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