Crystallography Open Database

Information card for entry 4081599

Preview

Coordinates	4081599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H80 Cl2 F12 I2 N4 P4 Sb4 Si4
Calculated formula	C63 H78 Cl2 F12 I2 N4 P4 Sb4 Si4
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	17.736 ± 0.0004 Å
b	19.175 ± 0.0005 Å
c	23.708 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	8062.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0963
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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
178704 (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 4/08/15.	4081599.cif
89767	2013-11-10	cif/ Adding structures of 4081595, 4081596, 4081597, 4081598, 4081599, 4081600, 4081601, 4081602, 4081603 via cif-deposit CGI script.	4081599.cif