Crystallography Open Database

Information card for entry 7242631

Preview

Coordinates	7242631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H48 Cu2 N16 O40 Si W12
Calculated formula	C64 H48 Cu2 N16 O40 Si W12
Title of publication	Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands
Authors of publication	Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	19
Pages of publication	3477 - 3487
a	11.473 ± 0.005 Å
b	13.285 ± 0.005 Å
c	15.134 ± 0.005 Å
α	77.821 ± 0.005°
β	71.632 ± 0.005°
γ	76.796 ± 0.005°
Cell volume	2107.1 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1257
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.2698
Weighted residual factors for all reflections included in the refinement	0.2941
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
265956 (current)	2021-06-05	cif/ Updating files of 7242631, 7242632, 7242633, 7242634, 7242635, 7242636 Original log message: Adding full bibliography for 7242631--7242636.cif.	7242631.cif
264067	2021-04-13	cif/ Adding structures of 7242631, 7242632, 7242633, 7242634, 7242635, 7242636 via cif-deposit CGI script.	7242631.cif