Crystallography Open Database

Information card for entry 7020316

7020315 << 7020316 >> 7020317

Preview

Coordinates	7020316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H29 N O2
Calculated formula	C19 H29 N O2
SMILES	O=C(\C=C(/Nc1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)C)C
Title of publication	A N-aryloxy-β-diketiminate ligand in 4d, 4f and 5f-metals complexes.
Authors of publication	Dulong, Florian; Bathily, Oumou; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	39
Pages of publication	11980 - 11983
a	20.6064 ± 0.0016 Å
b	6.1496 ± 0.0003 Å
c	28.352 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3592.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
179907 (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 7/02/03.	7020316.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020316.cif
71567	2013-01-20	cif/ Adding structures of 7020316, 7020317, 7020318, 7020319, 7020320, 7020321, 7020322 via cif-deposit CGI script.	7020316.cif