Crystallography Open Database

Information card for entry 4316857

Preview

Coordinates	4316857.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 7
Formula	C68 H116 Ge2 N4 O4 Si2
Calculated formula	C68 H116 Ge2 N4 O4 Si2
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	12.8221 ± 0.0006 Å
b	15.7103 ± 0.0007 Å
c	19.1054 ± 0.0009 Å
α	82.978 ± 0.001°
β	78.934 ± 0.001°
γ	79.303 ± 0.001°
Cell volume	3696.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4316857.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316857.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316857.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' ) &	4316857.cif
10366	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316857 via cif-deposit CGI script.	4316857.cif