Crystallography Open Database

Information card for entry 7002649

Preview

Coordinates	7002649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.24 H36.71 B F N1.76 O0.24
Calculated formula	C32.209 H36.627 B F N1.791 O0.209
Title of publication	Colorimetric turn-on sensing of fluoride ions in H2O/CHCl3 mixtures by pyridinium boranes
Authors of publication	Wade, Casey R.; Gabbaï, François P.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	42
Pages of publication	9169
a	13.924 ± 0.003 Å
b	12.52 ± 0.003 Å
c	15.974 ± 0.004 Å
α	90°
β	101.333 ± 0.003°
γ	90°
Cell volume	2730.4 ± 1.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
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	0.0986
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
179730 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/26.	7002649.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002649.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002649.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002649.cif