Crystallography Open Database

Information card for entry 4320650

4320649 << 4320650 >> 4320651

Preview

Coordinates	4320650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H71 La Si3
Calculated formula	C43 H71 La Si3
SMILES	[La]123456789%10%11%12([c]%13([c]1([c]2([c]3([c]4%13[Si](C)(C)C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81[Si](C)(C)C)C)C)C)C)[c]1([c]9([c]%10([c]%11([c]%121[Si](C)(C)C)C)C)C)C.c1(ccccc1)C
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	10.2192 ± 0.0007 Å
b	10.2734 ± 0.0007 Å
c	20.4975 ± 0.0014 Å
α	91.811 ± 0.001°
β	98.394 ± 0.001°
γ	96.136 ± 0.001°
Cell volume	2114.3 ± 0.3 Å³
Cell temperature	158 ± 2 K
Ambient diffraction temperature	158 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.024
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	4320650.cif
179309	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.	4320650.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 {}'	4320650.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320650.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320650.cif
17846	2011-04-10	../uploads/cif-deposit/cod/cif Adding structures of 4320650 via cif-deposit CGI script.	4320650.cif