Crystallography Open Database

Information card for entry 7022838

Preview

Coordinates	7022838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H52 Li N4
Calculated formula	C32 H52 Li N4
SMILES	[Li]12([N](=CC=[N]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N](C)(C)CC[N]2(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	13.6221 ± 0.0013 Å
b	12.2902 ± 0.0012 Å
c	19.4681 ± 0.0019 Å
α	90°
β	100.295 ± 0.002°
γ	90°
Cell volume	3206.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	7022838.cif
90357	2013-11-17	cif/ Adding structures of 7022831, 7022832, 7022833, 7022834, 7022835, 7022836, 7022837, 7022838 via cif-deposit CGI script.	7022838.cif