Crystallography Open Database

Information card for entry 7242632

Preview

Coordinates	7242632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H102 Cu4 Mo12 N16 O60 Si
Calculated formula	C120 H102 Cu4 Mo12 N16 O60 Si
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	14.4073 ± 0.0006 Å
b	14.6547 ± 0.0006 Å
c	18.0891 ± 0.0008 Å
α	98.781 ± 0.001°
β	92.723 ± 0.001°
γ	112.217 ± 0.001°
Cell volume	3471.1 ± 0.3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.1168
Residual factor for significantly intense reflections	0.076
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
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.	7242632.cif
264067	2021-04-13	cif/ Adding structures of 7242631, 7242632, 7242633, 7242634, 7242635, 7242636 via cif-deposit CGI script.	7242632.cif