Crystallography Open Database

Information card for entry 4133370

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Coordinates	4133370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H604 Mo154 N24 Na4 O732
Calculated formula	C48 Mo154 N22 O663.6
Title of publication	Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.
Authors of publication	Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	3
Pages of publication	1242 - 1250
a	36.1521 ± 0.0013 Å
b	43.2693 ± 0.0015 Å
c	31.4909 ± 0.0011 Å
α	90°
β	107.595 ± 0.001°
γ	90°
Cell volume	46956 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.1228
Residual factor for significantly intense reflections	0.1058
Weighted residual factors for significantly intense reflections	0.237
Weighted residual factors for all reflections included in the refinement	0.2502
Goodness-of-fit parameter for all reflections included in the refinement	1.248
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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