Crystallography Open Database

Information card for entry 4119459

4119458 << 4119459 >> 4119460

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Structure parameters

Formula	C15 H14 Cu N6 O3
Calculated formula	C15 H14 Cu N6 O3
Title of publication	Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System
Authors of publication	Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	4040 - 4050
a	8.8876 ± 0.0006 Å
b	9.8698 ± 0.0007 Å
c	11.3149 ± 0.0006 Å
α	75.32 ± 0.005°
β	73.151 ± 0.006°
γ	68.201 ± 0.004°
Cell volume	870.05 ± 0.1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor R(I) for significantly intense reflections	0.0515
Goodness-of-fit parameter for all reflections	1.83
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.60505 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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