Crystallography Open Database

Information card for entry 4121347

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Structure parameters

Formula	C72 H72 Ce Li3 N6 O6
Calculated formula	C72 H72 Ce Li3 N6 O6
Title of publication	Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework
Authors of publication	Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	19016 - 19024
a	21.2574 ± 0.0016 Å
b	15.4522 ± 0.0011 Å
c	22.0986 ± 0.0016 Å
α	90°
β	117.814 ± 0.003°
γ	90°
Cell volume	6420.2 ± 0.8 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1628
Weighted residual factors for all reflections included in the refinement	0.1658
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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