Crystallography Open Database

Information card for entry 7207994

7207993 << 7207994 >> 7207995

Preview

Coordinates	7207994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H48 Cu2 I5 O8 S8 Tb
Calculated formula	C16 H48 Cu2 I5 O8 S8 Tb
SMILES	CS(C)=[O][Tb]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.I[Cu]([I][Cu](I)I)I
Title of publication	Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters
Authors of publication	Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	11
Pages of publication	3894
a	11.1937 ± 0.0005 Å
b	9.8578 ± 0.0002 Å
c	20.458 ± 0.0009 Å
α	90°
β	91.604 ± 0.002°
γ	90°
Cell volume	2256.56 ± 0.15 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for all reflections	0.1631
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.1631
Goodness-of-fit parameter for all reflections included in the refinement	0.9636
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180410 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/79.	7207994.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207994.cif
60415	2012-06-14	cif/ Adding structures of 7207994, 7207995, 7207996, 7207997, 7207998 via cif-deposit CGI script.	7207994.cif