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Information card for entry 4324087
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Coordinates | 4324087.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2,2'-bispyridilium decahydro-closo-decaborate(2-) |
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Formula | C20 H30 B10 N4 O |
Calculated formula | C20 H30 B10 N4 O |
Title of publication | Real-Space Indicators for Chemical Bonding. Experimental and Theoretical Electron Density Studies of Four Deltahedral Boranes |
Authors of publication | Stefan Mebs; Roman Kalinowski; Simon Grabowsky; Diana Förster; Rainer Kickbusch; Eugen Justus; Wolfgang Morgenroth; Carsten Paulmann; Peter Luger; Detlef Gabel; Dieter Lentz |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 90 - 103 |
a | 9.232 ± 0.002 Å |
b | 9.437 ± 0.002 Å |
c | 14.613 ± 0.003 Å |
α | 86.66 ± 0.03° |
β | 83.88 ± 0.03° |
γ | 72.83 ± 0.03° |
Cell volume | 1209 ± 0.5 Å3 |
Cell temperature | 9 ± 2 K |
Ambient diffraction temperature | 9 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.039 |
Residual factor for significantly intense reflections | 0.021 |
Weighted residual factors for all reflections included in the refinement | 0.048 |
RFsqd | 0.032 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.574 |
Diffraction radiation wavelength | 0.5166 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179343 (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 4/32/40. |
4324087.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324087.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4324087.cif |
24378 | 2011-08-23 | ../uploads/cif-deposit/cod/cif Adding structures of 4324087 via cif-deposit CGI script. |
4324087.cif |
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Users of the data should acknowledge the original authors of the
structural data.