Crystallography Open Database

Information card for entry 7022837

Preview

Coordinates	7022837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H52 Cl2 N2 O2 Y
Calculated formula	C34 H52 Cl2 N2 O2 Y
SMILES	[Y]1(Cl)(Cl)([O]2CCCC2)([O]2CCCC2)[N](=CC=[N]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Rare-earth dichloro and bis(alkyl) complexes supported by bulky amido-imino ligand. Synthesis, structure, reactivity and catalytic activity in isoprene polymerization.
Authors of publication	Kissel, Alexander A.; Lyubov, Dmitry M.; Mahrova, Tatyana V.; Fukin, Georgy K.; Cherkasov, Anton V.; Glukhova, Tatyana A.; Cui, Dongmei; Trifonov, Alexander A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	25
Pages of publication	9211 - 9225
a	10.103 ± 0.0006 Å
b	19.7166 ± 0.0012 Å
c	18.5131 ± 0.0011 Å
α	90°
β	105.332 ± 0.001°
γ	90°
Cell volume	3556.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0703
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179933 (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 7/02/28.	7022837.cif
90357	2013-11-17	cif/ Adding structures of 7022831, 7022832, 7022833, 7022834, 7022835, 7022836, 7022837, 7022838 via cif-deposit CGI script.	7022837.cif