Crystallography Open Database

Information card for entry 4317644

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Coordinates	4317644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H29 N3 P S Si Tl
Calculated formula	C16 H29 N3 P S Si Tl
SMILES	[Tl]1[S]=P2(N(C(C)(C)C)[Si](N2C(C)(C)C)(C)C)N1c1ccccc1
Title of publication	Syntheses and Structures of P-Anilino-P-chalcogeno- and P-Anilino-P-iminodiazasilaphosphetidines and Their Group 12 and 13 Metal Compounds
Authors of publication	Dana C. Haagenson; Daniel F. Moser; Lothar Stahl; Richard J. Staples
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	1245 - 1253
a	13.5033 ± 0.0007 Å
b	9.437 ± 0.0004 Å
c	17.6696 ± 0.0009 Å
α	90°
β	109.055 ± 0.001°
γ	90°
Cell volume	2128.27 ± 0.18 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
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	0.0287
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0615
Weighted residual factors for all reflections included in the refinement	0.0634
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
179256 (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 4/31/76.	4317644.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317644.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317644.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' ) &	4317644.cif
13920	2011-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4317644 via cif-deposit CGI script.	4317644.cif