Crystallography Open Database

Information card for entry 4074701

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Coordinates	4074701.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1,1,1-[ethylene-N,N'-bis(2-oxy-4-methoxybenzophenone)iminato]- 2,5-diphenyl-2,5-diazasilolidine dioxane solvate
Formula	C52 H56 N4 O8 Si
Calculated formula	C52 H56 N4 O8 Si
Title of publication	Intramolecular Interligand Charge Transfer in Hexacoordinate Silicon Complexes
Authors of publication	Wagler, Jörg; Gerlach, Daniela; Böhme, Uwe; Roewer, Gerhard
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	12
Pages of publication	2929
a	12.618 ± 0.001 Å
b	13.826 ± 0.001 Å
c	14.102 ± 0.001 Å
α	96.355 ± 0.01°
β	109.511 ± 0.01°
γ	97.251 ± 0.01°
Cell volume	2269.4 ± 0.3 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	4074701.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074701.cif
48680	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074701, 4074702 via cif-deposit CGI script.	4074701.cif