Crystallography Open Database

Information card for entry 4082093

4082092 << 4082093 >> 4082094

Preview

Coordinates	4082093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H63 N4 Sc
Calculated formula	C49 H63 N4 Sc
SMILES	[Sc]123([N](=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)([N](c1c(C2)cccc1)(C)C)[N](c1c(C3)cccc1)(C)C
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	10.582 ± 0.004 Å
b	23.697 ± 0.009 Å
c	19.744 ± 0.008 Å
α	90°
β	105.219 ± 0.005°
γ	90°
Cell volume	4777 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1159
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.148
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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.	4082093.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.	4082093.cif