Crystallography Open Database

Information card for entry 4500051

Preview

Coordinates	4500051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H48 B2 Cl3 N3 O9
Calculated formula	C52 H48 B2 Cl3 N3 O9
Title of publication	Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl
Authors of publication	Emilie Voisin; Thierry Maris; James D. Wuest
Journal of publication	Cryst. Growth & Design
Year of publication	2008
Journal volume	8
Pages of publication	308 - 318
a	12.8717 ± 0.0004 Å
b	12.0303 ± 0.0004 Å
c	14.9133 ± 0.0005 Å
α	90°
β	90.344 ± 0.002°
γ	90°
Cell volume	2309.29 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0861
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.2383
Weighted residual factors for all reflections included in the refinement	0.2474
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179531 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/00.	4500051.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4500051.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4500051.cif
26780	2011-09-25	../uploads/cif-deposit/cod/cif Adding structures of 4500042, 4500043, 4500044, 4500045, 4500046, 4500047, 4500048, 4500049, 4500050, 4500051 via cif-deposit CGI script.	4500051.cif