Crystallography Open Database

Information card for entry 4305286

Preview

Coordinates	4305286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H56 B2 O5
Calculated formula	C41 H56 B2 O5
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	19.159 ± 0.0003 Å
b	21.404 ± 0.0003 Å
c	19.128 ± 0.0006 Å
α	90 ± 0.001°
β	90.674 ± 0.001°
γ	90 ± 0.002°
Cell volume	7843.5 ± 0.3 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	0.1187
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1592
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
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.	4305286.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305286.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305286.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305286.cif