Crystallography Open Database

Information card for entry 4335025

Preview

Coordinates	4335025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 Eu N2 Si
Calculated formula	C30 H40 Eu N2 Si
SMILES	[Eu]123456789%10%11[N](CCC[c]%124[cH]3[c]2([Si](C)(C)[c]27[c]38[c]9(cccc3)[c]%10([cH]%112)CCC[N]1(C)C)[c]16[c]5%12cccc1)(C)C
Title of publication	Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge
Authors of publication	Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6417 - 6426
a	14.4789 ± 0.0015 Å
b	17.4808 ± 0.0018 Å
c	22.085 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5589.8 ± 1 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0833
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
179453 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/50.	4335025.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 {}'	4335025.cif
100929	2014-02-10	cif/ Adding structures of 4335025 via cif-deposit CGI script.	4335025.cif