Crystallography Open Database

Information card for entry 4336192

Preview

Coordinates	4336192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20.1 Br0.1 N2 O3
Calculated formula	C25 H20.1 Br0.1 N2 O3
Title of publication	Photochromic Properties of Polyoxotungstates with Grafted Spiropyran Molecules
Authors of publication	Arnaud Parrot; Guillaume Izzet; Lise-Marie Chamoreau; Anna Proust; Olivier Oms; Anne Dolbecq; Khadija Hakouk; Houda El Bekkachi; Philippe Deniard; Rémi Dessapt; Pierre Mialane
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11156 - 11163
a	12.1197 ± 0.0006 Å
b	10.7416 ± 0.0005 Å
c	16.1456 ± 0.0008 Å
α	90°
β	108.749 ± 0.001°
γ	90°
Cell volume	1990.38 ± 0.17 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 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	0.0712
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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