Crystallography Open Database

Information card for entry 7116568

Preview

Coordinates	7116568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H136 N4 O4.5 Sm2
Calculated formula	C76 H100 N4 Sm2
Title of publication	Reversible C‒C coupling in phenanthroline complexes of divalent samarium and thulium
Authors of publication	Nocton, Grégory; Ricard, Louis
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2015
Journal volume	51
Journal issue	17
Pages of publication	3578 - 3581
a	10.9726 ± 0.0002 Å
b	18.7116 ± 0.0003 Å
c	19.7467 ± 0.0003 Å
α	90°
β	91.3117 ± 0.0009°
γ	90°
Cell volume	4053.23 ± 0.12 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
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	0.0654
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210894 (current)	2018-09-12	cif/7/11/ Updating bibliography in entries 7116566-7116569, 7116695-7116698. Marking entries 7116695-7116698 as duplicates of entries 7116566-7116569.	7116568.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7116568.cif
131840	2015-02-13	cif/ Adding structures of 7116566, 7116567, 7116568, 7116569 via cif-deposit CGI script.	7116568.cif