Crystallography Open Database

Information card for entry 4109887

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Coordinates	4109887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 N7 O11 Tb
Calculated formula	C36 H30 N7 O11 Tb
Title of publication	The Lanthanide Contraction Revisited
Authors of publication	Michael Seitz; Allen G. Oliver; Kenneth N. Raymond
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	11153 - 11160
a	12.3216 ± 0.0014 Å
b	26.295 ± 0.003 Å
c	10.5618 ± 0.0012 Å
α	90°
β	96.335 ± 0.002°
γ	90°
Cell volume	3401.1 ± 0.7 Å³
Cell temperature	159 ± 2 K
Ambient diffraction temperature	159 ± 2 K
Number of distinct elements	5
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	0.0849
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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