Crystallography Open Database

Information card for entry 7222128

Preview

Coordinates	7222128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H47.5 N4.5 O21 W6
Calculated formula	C41 H47.5 N4.5 O21 W6
Title of publication	Influence of Electronic vs. Steric Factors on the Solid-State Photochromic Performances of New Polyoxometalate/Spirooxazine and Spiropyran Hybrid Materials
Authors of publication	Menet, Clotilde; Brault, Hélène Serier; OMS, OLIVIER; DOLBECQ, Anne; Marrot, Jérôme; Saad, Ali; Mialane, Pierre; Jobic, Stéphane; Deniard, Philippe; Dessapt, Rémi
Journal of publication	RSC Adv.
Year of publication	2015
a	10.4923 ± 0.0002 Å
b	15.1018 ± 0.0003 Å
c	16.1338 ± 0.0002 Å
α	90°
β	104.652 ± 0.0006°
γ	90°
Cell volume	2473.3 ± 0.07 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.043
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7222128.cif
156316	2015-09-15	cif/ Adding structures of 7222126, 7222127, 7222128 via cif-deposit CGI script.	7222128.cif