Crystallography Open Database

Information card for entry 7023988

Preview

Coordinates	7023988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H44 N2 O3 Si2 Sn
Calculated formula	C42 H44 N2 O3 Si2 Sn
SMILES	[Sn]1(O[Si](O[Si](O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1c(cccc1CN(C)C)CN(C)C
Title of publication	Straightforward synthesis of novel cyclic metallasiloxanes supported by an N,C,N-chelating ligand.
Authors of publication	Fridrichová, Adéla; Mairychová, Barbora; Padělková, Zdeňka; Lyčka, Antonín; Jurkschat, Klaus; Jambor, Roman; Dostál, Libor
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	46
Pages of publication	16403 - 16411
a	10.732 ± 0.0002 Å
b	13.1811 ± 0.0008 Å
c	13.5121 ± 0.0008 Å
α	89.06 ± 0.005°
β	84.317 ± 0.004°
γ	87.989 ± 0.003°
Cell volume	1900.69 ± 0.17 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.065
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
179944 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/39.	7023988.cif
91611	2013-12-13	cif/ Adding structures of 7023984, 7023985, 7023986, 7023987, 7023988, 7023989 via cif-deposit CGI script.	7023988.cif