Crystallography Open Database

Information card for entry 1548708

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Coordinates	1548708.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tap003
Formula	C54 H64 Ho N14 O16
Calculated formula	C54 H64 Ho N14 O16
Title of publication	A Single Sensisitizer for the Excitation of Visible and NIR Lanthanide Emitters (Sm, Eu, Tb, Dy and Ho) in Water with High Quantum Yields
Authors of publication	Ga-Lai Law; Tiffany A. Pham; Jide Xu; Kenneth N. Raymond
Journal of publication	Angewandte Chemie Int. Ed. Engl
Year of publication	2012
Journal volume	51
Pages of publication	2371 - 2374
a	17.455 ± 0.005 Å
b	47.542 ± 0.013 Å
c	27.414 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	22749 ± 11 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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