Crystallography Open Database

Information card for entry 7126707

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Coordinates	7126707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 N6 O8
Calculated formula	C12 H16 N6 O8
Title of publication	Tunable room temperature phosphorescence and energy transfer in ratiometric co-crystals.
Authors of publication	Zhou, Bo; Zhao, Qihang; Tang, Longchang; Yan, Dongpeng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	56
Pages of publication	7698 - 7701
a	9.3092 ± 0.0013 Å
b	9.8441 ± 0.0014 Å
c	10.1956 ± 0.0014 Å
α	63.563 ± 0.014°
β	71.551 ± 0.013°
γ	73.22 ± 0.012°
Cell volume	781.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1162
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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