Crystallography Open Database

Information card for entry 7036668

Preview

Coordinates	7036668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109 H89 B2 F48 Ir4 N14 O
Calculated formula	C109 H89 B2 F48 Ir4 N14 O
Title of publication	Gel-assisted crystallization of [Ir4(IMe)7(CO)H10](2+) and [Ir4(IMe)8H9](3+) clusters derived from catalytic glycerol dehydrogenation.
Authors of publication	Sharninghausen, Liam S.; Mercado, Brandon Q.; Crabtree, Robert H.; Balcells, David; Campos, Jesús
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	42
Pages of publication	18403 - 18410
a	14.6752 ± 0.0003 Å
b	20.0841 ± 0.0005 Å
c	22.7318 ± 0.0016 Å
α	91.664 ± 0.007°
β	107.958 ± 0.008°
γ	106.8 ± 0.007°
Cell volume	6049.9 ± 0.6 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.0762
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
171277 (current)	2015-12-09	cif/ Updating files of 7036668, 7036669 Original log message: Adding full bibliography for 7036668--7036669.cif.	7036668.cif
158412	2015-09-26	cif/ Adding structures of 7036668, 7036669 via cif-deposit CGI script.	7036668.cif