Crystallography Open Database

Information card for entry 4320649

4320648 << 4320649 >> 4320650

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Coordinates	4320649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H57 La
Calculated formula	C36 H57 La
SMILES	[La]123456789%10%11%12([c]%13([c]1([c]2([c]3([c]4%13C(C)C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81C(C)C)C)C)C)C)[c]1([c]9([c]%10([c]%11([c]%121C(C)C)C)C)C)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	35.675 ± 0.003 Å
b	10.2853 ± 0.0008 Å
c	18.7528 ± 0.0014 Å
α	90°
β	112.289 ± 0.001°
γ	90°
Cell volume	6366.8 ± 0.9 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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.	4320649.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 {}'	4320649.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320649.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320649.cif
17845	2011-04-10	../uploads/cif-deposit/cod/cif Adding structures of 4320649 via cif-deposit CGI script.	4320649.cif