Crystallography Open Database

Information card for entry 4133533

Preview

Coordinates	4133533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C240 H120 O313.5 S12 V65 W15
Calculated formula	C240 H120 O313.5 S12 V65 W15
Title of publication	Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.
Authors of publication	Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	50
Pages of publication	17365 - 17368
a	55.536 ± 0.009 Å
b	55.536 ± 0.009 Å
c	35.633 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	109901 ± 3 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	291.99 K
Number of distinct elements	6
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.2339
Residual factor for significantly intense reflections	0.1694
Weighted residual factors for significantly intense reflections	0.4577
Weighted residual factors for all reflections included in the refinement	0.5044
Goodness-of-fit parameter for all reflections included in the refinement	1.198
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
243297 (current)	2019-11-26	cif/ Adding structures of 4133532, 4133533, 4133534, 4133535, 4133536, 4133537 via cif-deposit CGI script.	4133533.cif