Crystallography Open Database

Information card for entry 4305287

Preview

Coordinates	4305287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H27 B O2
Calculated formula	C20 H27 B O2
Title of publication	Fluorescent Boron Bis(phenolate) with Association Response to Chloride and Dissociation Response to Fluoride
Authors of publication	Ewan Galbraith; Thomas M. Fyles; Frank Marken; Matthew G. Davidson; Tony D. James
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	6236 - 6244
a	12.012 ± 0.0001 Å
b	14.42 ± 0.0001 Å
c	21.964 ± 0.0002 Å
α	90°
β	105.101 ± 0.001°
γ	90°
Cell volume	3673.08 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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
179090 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/52.	4305287.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305287.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305287.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305287.cif