Crystallography Open Database

Information card for entry 7007461

Preview

Coordinates	7007461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H32 Li N5 O S Si
Calculated formula	C19 H32 Li N5 O S Si
Title of publication	Design of new heteroscorpionate ligands and their coordinative ability toward Group 4 transition metals; an efficient synthetic route to obtain enantiopure ligands.
Authors of publication	Otero, Antonio; Fernández-Baeza, Juan; Antiñolo, Antonio; Tejeda, Juan; Lara-Sánchez, Agustín; Sánchez-Barba, Luis; Sánchez-Molina, Margarita; Franco, Sonia; López-Solera, Isabel; Rodríguez, Ana M
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	36
Pages of publication	4359 - 4370
a	19.185 ± 0.002 Å
b	8.806 ± 0.003 Å
c	14.696 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2482.8 ± 0.9 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.236
Residual factor for significantly intense reflections	0.0769
Weighted residual factors for significantly intense reflections	0.1852
Weighted residual factors for all reflections included in the refinement	0.2391
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179778 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/74.	7007461.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007461.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007461.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007461.cif