Crystallography Open Database

Information card for entry 4110287

Preview

Coordinates	4110287.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	0.1666
Residual factor for significantly intense reflections	0.1318
Weighted residual factors for significantly intense reflections	0.3367
Weighted residual factors for all reflections included in the refinement	0.3582
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Suboptimal structure of	4110275
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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