Crystallography Open Database

Information card for entry 4080184

Preview

Coordinates	4080184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H54 La2 N8
Calculated formula	C26 H54 La2 N8
SMILES	[CH2]1=[CH]2[La]34561(C2)[N]1(CC[N]4(CCN5CC[N]6(CC1)C)C)[La]12456([CH2]=[CH]1C2)[N]13CC[N]4(CCN5CC[N]6(CC1)C)C
Title of publication	Heterometallic Potassium Rare-Earth-Metal Allyl and Hydrido Complexes Stabilized by a Dianionic (NNNN)-Type Macrocyclic Ancillary Ligand
Authors of publication	Cui, Peng; Spaniol, Thomas P.; Okuda, Jun
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	5
Pages of publication	1176
a	17.8105 ± 0.0018 Å
b	17.8105 ± 0.0018 Å
c	9.7851 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3104 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
178690 (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 4/08/01.	4080184.cif
85870	2013-05-07	cif/ Adding structures of 4080184, 4080185, 4080186 via cif-deposit CGI script.	4080184.cif