Crystallography Open Database

Information card for entry 7116569

Preview

Coordinates	7116569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C113 H156 N4 Tm2
Calculated formula	C92 H132 N4 Tm2
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	10.148 ± 0.001 Å
b	12.286 ± 0.001 Å
c	20.481 ± 0.001 Å
α	87.531 ± 0.001°
β	88.273 ± 0.001°
γ	84.59 ± 0.001°
Cell volume	2538.9 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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.	7116569.cif
180279	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/65.	7116569.cif
131840	2015-02-13	cif/ Adding structures of 7116566, 7116567, 7116568, 7116569 via cif-deposit CGI script.	7116569.cif