Crystallography Open Database

Information card for entry 4510033

Preview

Coordinates	4510033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44 B2 F8 Ir N4 O P
Calculated formula	C24 H44 B2 F8 Ir N4 O P
Title of publication	Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes
Authors of publication	Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.
Journal of publication	ACS Catalysis
Year of publication	2014
Journal volume	4
Journal issue	3
Pages of publication	973
a	10.6139 ± 0.0003 Å
b	10.4084 ± 0.0003 Å
c	27.7107 ± 0.0019 Å
α	90°
β	96.783 ± 0.007°
γ	90°
Cell volume	3039.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.0392
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179647 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/00.	4510033.cif
106129	2014-03-15	cif/ Adding structures of 4510033 via cif-deposit CGI script.	4510033.cif