Crystallography Open Database

Information card for entry 4133534

Preview

Coordinates	4133534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C450 H540 N45 O323.5 S12 V65 W15
Calculated formula	C350 O264 V60 W12
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	43.2511 ± 0.0016 Å
b	43.2511 ± 0.0016 Å
c	39.0469 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	73043 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.02 K
Number of distinct elements	7
Space group number	131
Hermann-Mauguin space group symbol	P 42/m m c
Hall space group symbol	-P 4c 2
Residual factor for all reflections	0.13
Residual factor for significantly intense reflections	0.0825
Weighted residual factors for significantly intense reflections	0.2223
Weighted residual factors for all reflections included in the refinement	0.2612
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4133534.cif