Crystallography Open Database

Information card for entry 4316855

Preview

Coordinates	4316855.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 5
Formula	C42 H44 Ge N2 Si3
Calculated formula	C42 H44 Ge N2 Si3
SMILES	[Ge]1N([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[Si](N1[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(C(C)C)C(C)C
Title of publication	Low-Coordinate Germylene and Stannylene Heterocycles featuring Sterically Tunable Bis(amido)silyl Ligands
Authors of publication	S. M. Ibrahim Al-Rafia; Paul A. Lummis; Michael J. Ferguson; Robert McDonald; Eric Rivard
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9709 - 9717
a	8.6077 ± 0.0009 Å
b	25.628 ± 0.003 Å
c	17.1827 ± 0.0018 Å
α	90°
β	91.302 ± 0.001°
γ	90°
Cell volume	3789.5 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0983
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
179248 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/68.	4316855.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316855.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316855.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4316855.cif
10364	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316855 via cif-deposit CGI script.	4316855.cif