Crystallography Open Database

Information card for entry 4081600

Preview

Coordinates	4081600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H54 I3 N2 P2 Si2 Te
Calculated formula	C46 H54 I3 N2 P2 Si2 Te
Title of publication	CH‒NH Tautomerism in the Products of the Reactions of the Methanide [HC(PPh2NSiMe3)2]−with Pnictogen and Tellurium Iodides
Authors of publication	Thirumoorthi, Ramalingam; Chivers, Tristram; Gendy, Chris; Vargas-Baca, Ignacio
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	19
Pages of publication	5360
a	10.805 ± 0.0002 Å
b	13.055 ± 0.0002 Å
c	19.446 ± 0.0004 Å
α	80.973 ± 0.0009°
β	76.625 ± 0.0009°
γ	71.99 ± 0.001°
Cell volume	2527.05 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
178705 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/16.	4081600.cif
89767	2013-11-10	cif/ Adding structures of 4081595, 4081596, 4081597, 4081598, 4081599, 4081600, 4081601, 4081602, 4081603 via cif-deposit CGI script.	4081600.cif