Crystallography Open Database

Information card for entry 4305288

Preview

Coordinates	4305288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H62 B2 O4
Calculated formula	C48 H62 B2 O4
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	26.771 ± 0.0006 Å
b	8.61 ± 0.0002 Å
c	18.613 ± 0.0005 Å
α	90°
β	95.412 ± 0.001°
γ	90°
Cell volume	4271.14 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.086
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1457
Weighted residual factors for all reflections included in the refinement	0.1683
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	4305288.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305288.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305288.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305288.cif