Crystallography Open Database

Information card for entry 7036900

Preview

Coordinates	7036900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H58 N4 O2 Yb
Calculated formula	C46 H58 N4 O2 Yb
SMILES	[Yb]12([O]3CCCC3)(N(C(=CC(=[N]1c1c(cccc1)C)C)C)c1c(cccc1)C)N(C(=CC(=[N]2c1c(cccc1)C)C)C)c1c(cccc1)C.O1CCCC1
Title of publication	Catalytic addition of amines to carbodiimides by bis(β-diketiminate)lanthanide(ii) complexes and mechanistic studies.
Authors of publication	Xue, Mingqiang; Zheng, Yu; Hong, Yubiao; Yao, Yingming; Xu, Fan; Zhang, Yong; Shen, Qi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	46
Pages of publication	20075 - 20086
a	12.149 ± 0.002 Å
b	21.676 ± 0.004 Å
c	16.55 ± 0.003 Å
α	90°
β	93.252 ± 0.006°
γ	90°
Cell volume	4351.3 ± 1.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
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	0.0959
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171122 (current)	2015-12-09	cif/ Updating files of 7036896, 7036897, 7036898, 7036899, 7036900, 7036901 Original log message: Adding full bibliography for 7036896--7036901.cif.	7036900.cif
169401	2015-10-21	cif/ Adding structures of 7036896, 7036897, 7036898, 7036899, 7036900, 7036901 via cif-deposit CGI script.	7036900.cif