Crystallography Open Database

Information card for entry 7047460

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Coordinates	7047460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H111 Eu N6 O9
Calculated formula	C99 H111 Eu N6 O9
Title of publication	Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.
Authors of publication	Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	39
Pages of publication	14001 - 14007
a	11.2061 ± 0.0005 Å
b	23.9366 ± 0.0011 Å
c	31.4661 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	8440.3 ± 0.7 Å³
Cell temperature	143 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1959
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1592
Goodness-of-fit parameter for all reflections included in the refinement	0.956
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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