Crystallography Open Database

Information card for entry 7707852

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Coordinates	7707852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H78 Cu2 F60 Gd2 N16 O28
Calculated formula	C94 H78 Cu2 F60 Gd2 N16 O28
Title of publication	A metal-radical hetero-tri-spin SCM with methyl-pyrazole-nitronyl nitroxide bridges.
Authors of publication	Huang, Xiaohui; Wang, Kang; Han, Jing; Xie, Junfang; Li, Licun; Sutter, Jean-Pascal
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	34
Pages of publication	11992 - 11998
a	14.5495 ± 0.0007 Å
b	22.989 ± 0.0012 Å
c	25.2616 ± 0.001 Å
α	113.252 ± 0.004°
β	94.091 ± 0.004°
γ	107.833 ± 0.005°
Cell volume	7209.5 ± 0.7 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 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	0.1491
Residual factor for significantly intense reflections	0.1009
Weighted residual factors for significantly intense reflections	0.2608
Weighted residual factors for all reflections included in the refinement	0.3165
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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