Crystallography Open Database

Information card for entry 7110676

Preview

Coordinates	7110676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H86 Li4 O4 Si8
Calculated formula	C45 H86 Li4 O4 Si8
SMILES	[C]1234=[C]56[C]78=[C]9%10%11[C]%12%131[C]1%14%15[Li]4%12([C]42([Li]36([C]5([Si]([C]27[Li]8%10([C]9([Li]%11%131[O]1CCCC1)([Si]%15(C)C)[Si](C)(C)C[Si]2(C)C)[O]1CCCC1)(C)C)[Si](C)(C)C[Si]4(C)C)[O]1CCCC1)[Si](C)(C)C[Si]%14(C)C)[O]1CCCC1
Title of publication	Isolation and characterization of the tetralithium salt of [5]radialene tetraanion stabilized by silyl groups
Authors of publication	Matsuo, Tsukasa; Fure, Hidetoshi; Sekiguchi, Akira
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	19
Pages of publication	1981
a	48.328 ± 0.003 Å
b	13.47 ± 0.001 Å
c	21.676 ± 0.001 Å
α	90°
β	115.003 ± 0.003°
γ	90°
Cell volume	12788.2 ± 1.4 Å³
Cell temperature	180 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
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	0.0775
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for significantly intense reflections	0.2358
Weighted residual factors for all reflections included in the refinement	0.2358
Goodness-of-fit parameter for all reflections included in the refinement	1.947
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180220 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/06.	7110676.cif
171447	2015-12-11	cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic tags with placeholder values from multiple entries.	7110676.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 {}'	7110676.cif
95710	2014-01-28	cif/ Adding structures of 7110676 via cif-deposit CGI script.	7110676.cif