Crystallography Open Database

Information card for entry 4082095

4082094 << 4082095 >> 4082096

Preview

Coordinates	4082095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H70 N5 Sc
Calculated formula	C52 H70 N5 Sc
SMILES	[Sc]123([N](=C(N1c1c(cccc1C(C)C)C(C)C)Cc1c(N(C)C)cccc1)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	20.649 ± 0.006 Å
b	13.028 ± 0.004 Å
c	19.168 ± 0.006 Å
α	90°
β	113.175 ± 0.004°
γ	90°
Cell volume	4740 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1075
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1416
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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.	4082095.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.	4082095.cif