Crystallography Open Database

Information card for entry 4314723

Preview

Coordinates	4314723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H56 N2 P4 Se2 Sn Te2
Calculated formula	C24 H56 N2 P4 Se2 Sn Te2
SMILES	[Sn]12([Te][P](C(C)C)(C(C)C)N=P(C(C)C)(C(C)C)[Se]1)[Te][P](C(C)C)(C(C)C)N=P(C(C)C)(C(C)C)[Se]2
Title of publication	Synthesis, Structures, and Multinuclear NMR Spectra of Tin(II) and Lead(II) Complexes of Tellurium-Containing Imidodiphosphinate Ligands: Preparation of Two Morphologies of Phase-Pure PbTe from a Single-Source Precursor
Authors of publication	Jamie S. Ritch; Tristram Chivers; Kibriya Ahmad; Mohammad Afzaal; Paul O'Brien
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1198 - 1205
a	23.99 ± 0.005 Å
b	10.029 ± 0.002 Å
c	15.696 ± 0.003 Å
α	90°
β	90.2 ± 0.03°
γ	90°
Cell volume	3776.4 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
179227 (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 4/31/47.	4314723.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314723.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314723.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' ) &	4314723.cif
7866	2011-02-02	../uploads/cif-deposit/cod/cif Adding structures of 4314723 via cif-deposit CGI script.	4314723.cif