Crystallography Open Database

Information card for entry 7713189

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Coordinates	7713189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H92 Cl4 Co2 N24 O32
Calculated formula	C56 H92 Cl4 Co2 N24 O32
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	18.7524 ± 0.001 Å
b	18.2753 ± 0.001 Å
c	12.4972 ± 0.0006 Å
α	90°
β	106.946 ± 0.002°
γ	90°
Cell volume	4096.9 ± 0.4 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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