Crystallography Open Database

Information card for entry 7036899

Preview

Coordinates	7036899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H90 N4 Sm
Calculated formula	C65 H90 N4 Sm
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	20.2426 ± 0.0006 Å
b	16.1891 ± 0.0003 Å
c	19.2241 ± 0.0005 Å
α	90°
β	109.222 ± 0.003°
γ	90°
Cell volume	5948.7 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7036899.cif
171122	2015-12-09	cif/ Updating files of 7036896, 7036897, 7036898, 7036899, 7036900, 7036901 Original log message: Adding full bibliography for 7036896--7036901.cif.	7036899.cif
169401	2015-10-21	cif/ Adding structures of 7036896, 7036897, 7036898, 7036899, 7036900, 7036901 via cif-deposit CGI script.	7036899.cif