Crystallography Open Database

Information card for entry 7113786

Preview

Coordinates	7113786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.5 H31 N7
Calculated formula	C39.5 H31 N7
Title of publication	The 'Trinity' helix: synthesis and structural characterisation of a C3-symmetric tris-bidentate ligand and its coordination to Ag(I)
Authors of publication	Conerney, Brian; Jensen, Paul; Kruger, Paul E.; MacGloinn, Conchúir
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	11
Pages of publication	1274 - 1275
a	10.1332 ± 0.0008 Å
b	11.0554 ± 0.0008 Å
c	16.6857 ± 0.0013 Å
α	70.954 ± 0.002°
β	75.751 ± 0.002°
γ	74.992 ± 0.002°
Cell volume	1679.7 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.14
Residual factor for significantly intense reflections	0.0987
Weighted residual factors for significantly intense reflections	0.2723
Weighted residual factors for all reflections included in the refinement	0.3087
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103683
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7113786.html