Crystallography Open Database

Information card for entry 1548209

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Coordinates	1548209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H54 N14 O41 W12 Zn3
Calculated formula	C40 H54 N14 O41 W12 Zn3
Title of publication	Polyoxometalate-based homochiral metal-organic frameworks for tandem asymmetric transformation of cyclic carbonates from olefins
Authors of publication	Qiuxia Han; Bo Qi; Weimin Ren; Cheng He; Jingyang Niu; Chunying Duan
Journal of publication	Nature Communications
Year of publication	2015
Journal volume	6
Pages of publication	10007
a	15.1029 ± 0.0008 Å
b	13.2535 ± 0.0006 Å
c	18.033 ± 0.0009 Å
α	90°
β	94.44 ± 0.003°
γ	90°
Cell volume	3598.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0677
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.1453
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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