Crystallography Open Database

Information card for entry 4069526

Preview

Coordinates	4069526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 Er N3
Calculated formula	C30 H26 Er N3
SMILES	[Er]123456789([N](N=C(N1)c1ccccc1)=C(c1ccccc1)c1ccccc1)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]9[cH]8[cH]7[cH]61
Title of publication	Investigations on Organolanthanide Derivatives with the Hydrazonido (−NHN═CPh2) Ligand: Synthesis, Crystal Structure, and Reactivity
Authors of publication	Han, Yanan; Zhang, Jie; Han, Fuyan; Zhang, Zhengxing; Weng, Linhong; Zhou, Xigeng
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	13
Pages of publication	3916
a	9.282 ± 0.01 Å
b	10.802 ± 0.012 Å
c	24.74 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	2481 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0876
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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
178584 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/95.	4069526.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069526.cif
40317	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069520, 4069521, 4069522, 4069523, 4069524, 4069525, 4069526, 4069527 via cif-deposit CGI script.	4069526.cif