Crystallography Open Database

Information card for entry 4080186

Preview

Coordinates	4080186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H126 K2 N16 O4 Y4
Calculated formula	C56 H126 K2 N16 O4 Y4
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	15.997 ± 0.002 Å
b	12.2 ± 0.002 Å
c	18.525 ± 0.004 Å
α	90°
β	98.59 ± 0.003°
γ	90°
Cell volume	3574.8 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4080186.cif
85870	2013-05-07	cif/ Adding structures of 4080184, 4080185, 4080186 via cif-deposit CGI script.	4080186.cif