Crystallography Open Database

Information card for entry 4324087

Preview

Coordinates	4324087.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2,2'-bispyridilium decahydro-closo-decaborate(2-)
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 F_obs	No

Version history

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