Crystallography Open Database

Information card for entry 7214341

Preview

Coordinates	7214341.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Chlorotrisdimethylformamide{(±)-2,7,12-trimethoxy- 3,8,13-tris(4-N-oxide-pyridyloxy)-10,15-dihydro-5H- tribenzo[a,d,g]cyclononatriene}samarium(III) pentachlorodimethylformamidesamariumate(III) dimethylformamide
Formula	C61.5 H78.5 Cl6 N9.5 O18.5 Sm2
Calculated formula	C61.5 H78.5 Cl6 N9.5 O18.5 Sm2
Title of publication	Lanthanide coordination polymers with pyridyl-N-oxide or carboxylate functionalised host ligands
Authors of publication	Henkelis, James J.; Ronson, Tanya K.; Hardie, Michaele J.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	18
Pages of publication	3688
a	12.7326 ± 0.0012 Å
b	16.1047 ± 0.0013 Å
c	19.7002 ± 0.0017 Å
α	103.648 ± 0.002°
β	91.582 ± 0.003°
γ	94.159 ± 0.003°
Cell volume	3911 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0773
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1334
Weighted residual factors for all reflections included in the refinement	0.1494
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7214341.cif
109290	2014-04-10	cif/ Adding structures of 7214340, 7214341, 7214342 via cif-deposit CGI script.	7214341.cif