Crystallography Open Database

Information card for entry 1515177

Preview

Coordinates	1515177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.25 H10.5 B Cl0.25 F25 N2
Calculated formula	C41.25 H10.5 B Cl0.25 F25 N2
Title of publication	Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex
Authors of publication	Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	6
Pages of publication	1814
a	11.003 ± 0.002 Å
b	19.158 ± 0.004 Å
c	20.004 ± 0.004 Å
α	76.77 ± 0.03°
β	85.03 ± 0.03°
γ	73.96 ± 0.03°
Cell volume	3943.8 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1758
Weighted residual factors for all reflections included in the refinement	0.1963
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1515177.cif
110892	2014-04-20	cif/ Adding structures of 1515176, 1515177 via cif-deposit CGI script.	1515177.cif