Crystallography Open Database

Information card for entry 2019969

2019968 << 2019969 >> 2019970

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Structure parameters

Chemical name	Dimethyl[<i>N</i>-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']silicon(II)
Formula	C12 H21 N O3 Si
Calculated formula	C12 H21 N O3 Si
SMILES	[Si]12([N](=C(C=C(O1)C)C)[C@H](C(=O)O2)C(C)C)(C)C
Title of publication	Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate valinate ligand
Authors of publication	Schwarzer, Anke; Fels, Sabine; Böhme, Uwe
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	6
Pages of publication	511 - 516
a	22.9355 ± 0.0007 Å
b	8.1571 ± 0.0002 Å
c	22.123 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4138.93 ± 0.19 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181869 (current)	2016-04-06	hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99.	2019969.cif 2019969.hkl
137549	2015-05-30	cif/ hkl/ Adding structures of 2019967, 2019968, 2019969 via cif-deposit CGI script.	2019969.cif 2019969.hkl