Crystallography Open Database

Information card for entry 4320647

4320646 << 4320647 >> 4320648

Preview

Coordinates	4320647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H45 La
Calculated formula	C30 H45 La
Title of publication	Synthesis and Structure of Tris(alkyl- and silyl-tetramethylcyclopentadienyl) Complexes of Lanthanum
Authors of publication	William J. Evans; Benjamin L. Davis; Joseph W. Ziller
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	6341 - 6348
a	10.1019 ± 0.0004 Å
b	10.1019 ± 0.0004 Å
c	15.5214 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	1371.73 ± 0.1 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	3
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0211
Residual factor for significantly intense reflections	0.0206
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.201
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
179309 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/06.	4320647.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4320647.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320647.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320647.cif
17843	2011-04-10	../uploads/cif-deposit/cod/cif Adding structures of 4320647 via cif-deposit CGI script.	4320647.cif