Crystallography Open Database

Information card for entry 4511666

Preview

Coordinates	4511666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 B Li N4 O6
Calculated formula	C18 H14 B Li N2 O6
Title of publication	Structural Features of Lithium Organoborates
Authors of publication	Downard, Andrew; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; van den Berg, Jan-Albert; Schmidt, Michael A.; Vaughan, Julian F. S.; Welz-Biermann, Urs
Journal of publication	Crystal Growth & Design
Year of publication	2002
Journal volume	2
Journal issue	2
Pages of publication	111
a	8.7941 ± 0.0017 Å
b	9.9647 ± 0.0019 Å
c	11.84 ± 0.002 Å
α	105.778 ± 0.003°
β	92.193 ± 0.004°
γ	112.421 ± 0.003°
Cell volume	911.1 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.2436
Weighted residual factors for all reflections included in the refinement	0.2517
Goodness-of-fit parameter for all reflections included in the refinement	1.632
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
179663 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/16.	4511666.cif
120611	2014-07-20	cif/ Adding structures of 4511663, 4511664, 4511665, 4511666 via cif-deposit CGI script.	4511666.cif