Crystallography Open Database

Information card for entry 7112898

Preview

Coordinates	7112898.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(dippe)Ir(BCat)3
Formula	C32 H44 B3 Ir O6 P2
Calculated formula	C32 H44 B3 Ir O6 P2
Title of publication	Electronic effects in iridium C-H borylations: insights from unencumbered substrates and variation of boryl ligand substituents.
Authors of publication	Vanchura, 2nd, Britt A; Preshlock, Sean M.; Roosen, Philipp C.; Kallepalli, Venkata A.; Staples, Richard J.; Maleczka, Jr, Robert E; Singleton, Daniel A.; Smith, 3rd, Milton R
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	41
Pages of publication	7724 - 7726
a	11.5773 ± 0.0003 Å
b	19.1172 ± 0.0006 Å
c	15.8919 ± 0.0005 Å
α	90°
β	99.009 ± 0.002°
γ	90°
Cell volume	3473.89 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112898.cif
112147	2014-04-30	cif/ Adding structures of 7112898, 7112899 via cif-deposit CGI script.	7112898.cif