Crystallography Open Database

Information card for entry 7025471

Preview

Coordinates	7025471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H12 B F9 O3
Calculated formula	C21 H12 B F9 O3
Title of publication	Probing substituent effects on the activation of H(2) by phosphorus and boron frustrated Lewis pairs.
Authors of publication	Neu, Rebecca C.; Ouyang, Eva Y.; Geier, Stephen J.; Zhao, Xiaoxi; Ramos, Alberto; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	18
Pages of publication	4285 - 4294
a	13.8692 ± 0.0007 Å
b	13.4263 ± 0.0006 Å
c	22.0941 ± 0.0011 Å
α	90°
β	94.773 ± 0.003°
γ	90°
Cell volume	4099.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179960 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/54.	7025471.cif
93067	2014-01-12	cif/ Adding structures of 7025469, 7025470, 7025471, 7025472, 7025473, 7025474, 7025475, 7025476 via cif-deposit CGI script.	7025471.cif