Crystallography Open Database

Information card for entry 4133536

Preview

Coordinates	4133536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C556 H544 N98 O304 S12 V60 W12
Calculated formula	C480 H240 N60 O304 S12 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	41.174 ± 0.005 Å
b	41.174 ± 0.005 Å
c	53.404 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	90536 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.3943
Residual factor for significantly intense reflections	0.2105
Weighted residual factors for significantly intense reflections	0.4703
Weighted residual factors for all reflections included in the refinement	0.535
Goodness-of-fit parameter for all reflections included in the refinement	1.41
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.	4133536.cif