Crystallography Open Database

Information card for entry 7000375

Preview

Coordinates	7000375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H49 B F24 Ir N2 P
Calculated formula	C69 H49 B F24 Ir N2 P
Title of publication	Weakly coordinating counter-ions for highly efficient catalysis of intramolecular hydroamination
Authors of publication	Dabb, Serin L.; Ho, Joanne H. H.; Hodgson, Richard; Messerle, Barbara A.; Wagler, Jörg
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	4
Pages of publication	634
a	12.5044 ± 0.0003 Å
b	35.3357 ± 0.0009 Å
c	14.8836 ± 0.0004 Å
α	90°
β	100.956 ± 0.001°
γ	90°
Cell volume	6456.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0346
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0552
Weighted residual factors for all reflections included in the refinement	0.0574
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7000375.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000375.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000375.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000375.cif