Crystallography Open Database

Information card for entry 7003270

Preview

Coordinates	7003270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H43 B8.5 Ir2
Calculated formula	C20 H41.5 B8.5 Ir2
Title of publication	Expansion of iridaborane clusters by addition of monoborane. Novel metallaboranes and mechanistic detail
Authors of publication	Ghosh, Sundargopal; Noll, Bruce C.; Fehlner, Thomas P.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	3
Pages of publication	371
a	8.3424 ± 0.0002 Å
b	15.4752 ± 0.0003 Å
c	19.7068 ± 0.0004 Å
α	90°
β	94.178 ± 0.001°
γ	90°
Cell volume	2537.39 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.226
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7003270.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003270.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003270.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003270.cif