Crystallography Open Database

Information card for entry 7701909

7701908 << 7701909 >> 7701910

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Coordinates	7701909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H99 Br3 Mo12 N5 O58 P
Calculated formula	C70 H99 Br3 Mo12 N5 O58 P
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	17.634 ± 0.004 Å
b	16.955 ± 0.003 Å
c	18.481 ± 0.004 Å
α	90°
β	108.71 ± 0.03°
γ	90°
Cell volume	5234 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0791
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.1859
Weighted residual factors for all reflections included in the refinement	0.1909
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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