Crystallography Open Database

Information card for entry 4079023

Preview

Coordinates	4079023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H78 N3 Nd O3.5 Si2
Calculated formula	C44 H74 N3 Nd O3.5 Si2
Title of publication	Control of Conformations of Piperazidine-Bridged Bis(phenolato) Groups: Syntheses and Structures of Bimetallic and Monometallic Lanthanide Amides and Their Application in the Polymerization of Lactides
Authors of publication	Li, Wenyi; Zhang, Zhongjian; Yao, Yingming; Zhang, Yong; Shen, Qi
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	9
Pages of publication	3499
a	22.5843 ± 0.001 Å
b	15.7763 ± 0.0007 Å
c	27.2441 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	9707 ± 0.8 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0901
Weighted residual factors for significantly intense reflections	0.1844
Weighted residual factors for all reflections included in the refinement	0.1916
Goodness-of-fit parameter for all reflections included in the refinement	1.258
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4079023.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079023.cif
72285	2013-01-21	cif/ Adding structures of 4079013, 4079014, 4079015, 4079016, 4079017, 4079018, 4079019, 4079020, 4079021, 4079022, 4079023 via cif-deposit CGI script.	4079023.cif