Crystallography Open Database

Information card for entry 3000195

Preview

No preview available: structure is on hold until 2018-09-09

Coordinates	Coordinates are not available: structure is on hold until 2018-09-09

Structure parameters

Formula	C69 H56 Ho O11.5
Title of publication	Probing the effect of β-triketones in visible and NIR emitting lanthanoid complexes
Authors of publication	Laura Abad Galán; Brodie L. Reid; Stefano Stagni; Alexandre N. Sobolev; Brian W. Skelton; Evan G. Moore; Garry S. Hanan; Eli Zysman-Colman; Mark I. Ogden; Massimiliano Massi
Journal of publication	To be published
a	12.7743 ± 0.0004 Å
b	13.8632 ± 0.0004 Å
c	17.0964 ± 0.0004 Å
α	100.36 ± 0.002°
β	100.374 ± 0.002°
γ	102.132 ± 0.003°
Cell volume	2836.07 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1243
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

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