Crystallography Open Database

Information card for entry 7712322

Preview

Coordinates	7712322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H120 Cl3 Cu4 Dy N8 O34
Calculated formula	C50 H104 Cl3 Cu4 Dy N8 O34
Title of publication	Elucidating the exchange interactions in a {GdIIICuII4} propellor
Authors of publication	Heras Ojea, María José; Wilson, Claire; Cirera, Jordi; Oshio, Hiroki; Ruiz, Eliseo; Murrie, Mark
Journal of publication	Dalton Transactions
Year of publication	2023
Journal volume	52
Journal issue	10
Pages of publication	3203 - 3209
a	32.254 ± 0.004 Å
b	11.0373 ± 0.0012 Å
c	25.039 ± 0.003 Å
α	90°
β	125.646 ± 0.004°
γ	90°
Cell volume	7243.7 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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