Crystallography Open Database

Information card for entry 7047462

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Coordinates	7047462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C181 H176 Cu6 La2 N12 O12
Calculated formula	C181 H176 Cu6 La2 N12 O12
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	15.565 ± 0.013 Å
b	11.095 ± 0.008 Å
c	23.637 ± 0.013 Å
α	90°
β	106.22 ± 0.03°
γ	90°
Cell volume	3919 ± 5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1023
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1564
Weighted residual factors for all reflections included in the refinement	0.1763
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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