Crystallography Open Database

Information card for entry 4110275

Preview

Coordinates	4110275.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tb1
Formula	C45.5 H41 N6.5 O28.25 Tb V6
Calculated formula	C45.2 H44.8 N6.4 O27.4 Tb V6
Title of publication	A Coordination Network That Catalyzes O2-Based Oxidations
Authors of publication	Jong Woo Han; Craig L. Hill
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	15094 - 15095
a	13.102 ± 0.004 Å
b	26.279 ± 0.009 Å
c	26.104 ± 0.006 Å
α	90°
β	93.923 ± 0.005°
γ	90°
Cell volume	8967 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.1161
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2058
Weighted residual factors for all reflections included in the refinement	0.2198
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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