Crystallography Open Database

Information card for entry 4082091

4082090 << 4082091 >> 4082092

Preview

Coordinates	4082091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H63 Cl2 Lu N2 O3
Calculated formula	C43 H63 Cl2 Lu N2 O3
SMILES	C1(c2ccccc2)=[N](c2c(cccc2C(C)C)C(C)C)[Lu]([O]2CCCC2)([O]2CCCC2)(Cl)(N1c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)Cl
Title of publication	Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes
Authors of publication	Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	24
Pages of publication	7312
a	16.335 ± 0.003 Å
b	17.757 ± 0.003 Å
c	14.878 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4315.5 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
178709 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/20.	4082091.cif
92163	2014-01-12	cif/ Adding structures of 4082087, 4082088, 4082089, 4082090, 4082091, 4082092, 4082093, 4082094, 4082095, 4082096, 4082097, 4082098, 4082099, 4082100, 4082101 via cif-deposit CGI script.	4082091.cif