Crystallography Open Database

Information card for entry 4310879

Preview

Coordinates	4310879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H95 K N8 Ti6
Calculated formula	C60 H94.98 K N8 Ti6
Title of publication	Cube-Type Nitrido Complexes Containing Titanium and Alkali/Alkaline-Earth Metals
Authors of publication	Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	2491 - 2498
a	18.5226 ± 0.0017 Å
b	18.5226 ± 0.0017 Å
c	15.4736 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	4597.5 ± 0.7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1138
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
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
179147 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/08.	4310879.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310879.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310879.cif
2371	2010-11-10	../uploads/cif-deposit/cod/cif Adding structures of 4310879 via cif-deposit CGI script.	4310879.cif