Crystallography Open Database

Information card for entry 7207871

7207870 << 7207871 >> 7207872

Preview

Coordinates	7207871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H86 Er1.5 N26.5 O66.5 S6 U4
Calculated formula	C42 H74 Er1.5 N26.5 O66.5 S6 U4
Title of publication	Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands
Authors of publication	Thuéry, Pierre
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	10
Pages of publication	3363
a	31.0881 ± 0.0009 Å
b	14.1832 ± 0.0003 Å
c	20.8347 ± 0.0005 Å
α	90°
β	93.8691 ± 0.0015°
γ	90°
Cell volume	9165.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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