Crystallography Open Database

Information card for entry 7713188

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Coordinates	7713188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 Cl2 F12 Mn N6 O6
Calculated formula	C23 H19 Cl2 F12 Mn N6 O6
Title of publication	Syntheses and magnetic properties of a bis-bidentate nitronyl nitroxide radical based on triazolopyrimidine and its metal complexes
Authors of publication	Xia, Cheng-Cai; Zhang, Xinyu; Zhang, Chengcheng; Li, Gang; Wei, Haiyan; Wang, Xin-Yi
Journal of publication	Dalton Transactions
Year of publication	2023
a	9.54 ± 0.0004 Å
b	12.2077 ± 0.0005 Å
c	16.3666 ± 0.0006 Å
α	68.502 ± 0.001°
β	74.357 ± 0.002°
γ	69.152 ± 0.002°
Cell volume	1635.98 ± 0.12 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1567
Weighted residual factors for all reflections included in the refinement	0.1681
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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