Crystallography Open Database

Information card for entry 4081596

Preview

Coordinates	4081596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H33 As Cl2 F6 I N2 P2 Sb Si
Calculated formula	C29 H33 As Cl2 F6 I N2 P2 Sb Si
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	17.537 ± 0.0003 Å
b	13.329 ± 0.0003 Å
c	16.31 ± 0.0005 Å
α	90 ± 0.0013°
β	102.558 ± 0.0016°
γ	90 ± 0.0017°
Cell volume	3721.27 ± 0.16 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	10
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4081596.cif
89767	2013-11-10	cif/ Adding structures of 4081595, 4081596, 4081597, 4081598, 4081599, 4081600, 4081601, 4081602, 4081603 via cif-deposit CGI script.	4081596.cif