Crystallography Open Database

Information card for entry 7214340

Preview

Coordinates	7214340.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Dinitro{(±)-2,7,12-Trimethoxy-3,8,13-tris(2-N-oxide-pyridylmethoxy)-10,15-dihydro-5H- tribenzo[a,d,g]cyclononatriene}]gadolinium(III) dimethylformamide
Formula	C45 H46 Gd N7 O19
Calculated formula	C45 H46 Gd N7 O19
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	44.86 ± 0.004 Å
b	15.1635 ± 0.0014 Å
c	15.6748 ± 0.0014 Å
α	90°
β	97.55 ± 0.004°
γ	90°
Cell volume	10570.1 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1437
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.2194
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
180474 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/43.	7214340.cif
109290	2014-04-10	cif/ Adding structures of 7214340, 7214341, 7214342 via cif-deposit CGI script.	7214340.cif