Crystallography Open Database

Information card for entry 7212017

7212016 << 7212017 >> 7212018

Preview

Coordinates	7212017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 Ce2 N6 O24 S3
Calculated formula	C60 H60 Ce2 N6 O24 S3
Title of publication	Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs
Authors of publication	Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	4
Pages of publication	1034
a	19.711 ± 0.004 Å
b	18.928 ± 0.004 Å
c	23.826 ± 0.005 Å
α	90°
β	116.74 ± 0.03°
γ	90°
Cell volume	7939 ± 4 Å³
Cell temperature	130 ± 1 K
Ambient diffraction temperature	130 ± 1 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	0.0693
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	0.852
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180451 (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 7/21/20.	7212017.cif
92552	2014-01-12	cif/ Adding structures of 7212017, 7212018, 7212019, 7212020, 7212021 via cif-deposit CGI script.	7212017.cif