Crystallography Open Database

Information card for entry 7212021

7212020 << 7212021 >> 7212022

Preview

Coordinates	7212021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 N6 O24 Pr2 S3
Calculated formula	C60 H60 N6 O24 Pr2 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	35.0141 ± 0.0019 Å
b	14.9351 ± 0.0008 Å
c	30.3411 ± 0.0017 Å
α	90°
β	97.422 ± 0.001°
γ	90°
Cell volume	15733.6 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0768
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1516
Weighted residual factors for all reflections included in the refinement	0.1601
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.41328 Å
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.	7212021.cif
92552	2014-01-12	cif/ Adding structures of 7212017, 7212018, 7212019, 7212020, 7212021 via cif-deposit CGI script.	7212021.cif