Crystallography Open Database

Information card for entry 7218747

Preview

Coordinates	7218747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H40 B F4 Ir N4 O2
Calculated formula	C24 H40 B F4 Ir N4 O2
Title of publication	Selective catalytic oxidation of sugar alcohols to lactic acid
Authors of publication	Manas, Michael G.; Campos, Jesús; Sharninghausen, Liam S.; Lin, Elisa; Crabtree, Robert H.
Journal of publication	Green Chem.
Year of publication	2015
Journal volume	17
Journal issue	1
Pages of publication	594
a	10.1442 ± 0.0016 Å
b	11.7709 ± 0.0018 Å
c	15.044 ± 0.002 Å
α	109.125 ± 0.008°
β	97.344 ± 0.007°
γ	109.259 ± 0.008°
Cell volume	1545.2 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
180518 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/87.	7218747.cif
131087	2015-02-04	cif/ Updating files of 7218747 Original log message: Adding full bibliography for 7218747.cif.	7218747.cif
127153	2014-11-12	cif/ Adding structures of 7218747 via cif-deposit CGI script.	7218747.cif