Crystallography Open Database

Information card for entry 7018803

Preview

Coordinates	7018803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H56 B Cu F4 N4
Calculated formula	C60 H56 B Cu F4 N4
Title of publication	Synthesis and structural characterisation of (aryl-BIAN)copper(i) complexes and their application as catalysts for the cycloaddition of azides and alkynes.
Authors of publication	Li, Lidong; Lopes, Patrícia S; Rosa, Vitor; Figueira, Cláudia A; Lemos, M Amélia N D A; Duarte, M. Teresa; Avilés, Teresa; Gomes, Pedro T.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	17
Pages of publication	5144 - 5154
a	16.4565 ± 0.0005 Å
b	44.4015 ± 0.0013 Å
c	29.1759 ± 0.0008 Å
α	90°
β	102.055 ± 0.001°
γ	90°
Cell volume	20848.5 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1852
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.1879
Weighted residual factors for all reflections included in the refinement	0.2238
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
179892 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/88.	7018803.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018803.cif
55963	2012-05-08	cif/ Adding structures of 7018803, 7018804, 7018805, 7018806 via cif-deposit CGI script.	7018803.cif