Crystallography Open Database

Information card for entry 7206031

7206030 << 7206031 >> 7206032

Preview

Coordinates	7206031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H216 Mo24 N6 O79 S2
Calculated formula	C96 H216 Mo24 N6 O79 S2
Title of publication	Exploring the thermochromism of sulfite-embedded polyoxometalate capsules.
Authors of publication	Tsunashima, Ryo; Long, De-Liang; Endo, Toru; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Cabrera, Raul Quesada; McMillan, Paul F.; Kögerler, Paul; Cronin, Leroy
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2011
Journal volume	13
Journal issue	16
Pages of publication	7295 - 7297
a	22.0259 ± 0.0002 Å
b	29.9732 ± 0.0002 Å
c	23.9492 ± 0.0002 Å
α	90°
β	90.628 ± 0.001°
γ	90°
Cell volume	15810 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0206
Weighted residual factors for significantly intense reflections	0.0475
Weighted residual factors for all reflections included in the refinement	0.0487
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
180391 (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 7/20/60.	7206031.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206031.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206031.cif
21319	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7206030, 7206031 via cif-deposit CGI script.	7206031.cif