Crystallography Open Database

Information card for entry 4081602

Preview

Coordinates	4081602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H41 F6 N2 P2 Sb Si2
Calculated formula	C31 H41 F6 N2 P2 Sb Si2
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	11.028 ± 0.0004 Å
b	13.92 ± 0.0005 Å
c	24.614 ± 0.001 Å
α	90 ± 0.0015°
β	97.345 ± 0.0013°
γ	90 ± 0.0014°
Cell volume	3747.5 ± 0.2 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1089
Residual factor for significantly intense reflections	0.0843
Weighted residual factors for significantly intense reflections	0.1501
Weighted residual factors for all reflections included in the refinement	0.1619
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
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.	4081602.cif
89767	2013-11-10	cif/ Adding structures of 4081595, 4081596, 4081597, 4081598, 4081599, 4081600, 4081601, 4081602, 4081603 via cif-deposit CGI script.	4081602.cif