Crystallography Open Database

Information card for entry 4318862

Preview

Coordinates	4318862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H39 Bi N4 Si3
Calculated formula	C15 H39 Bi N4 Si3
SMILES	C[Si](C)(C)N1[Bi]2N(CCN(CC1)CCN2[Si](C)(C)C)[Si](C)(C)C
Title of publication	Synthesis and Characterization of the First Azastibatranes and Azabismatranes
Authors of publication	Pavel L. Shutov; Sergey S. Karlov; Klaus Harms; Daniil A. Tyurin; Andrei V. Churakov; Jörg Lorberth; Galina S. Zaitseva
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	6147 - 6152
a	16.306 ± 0.002 Å
b	16.306 ± 0.002 Å
c	15.46 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	3559.9 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179268 (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 4/31/88.	4318862.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318862.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318862.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' ) &	4318862.cif
15589	2011-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4318862 via cif-deposit CGI script.	4318862.cif