Crystallography Open Database

Information card for entry 7242633

Preview

Coordinates	7242633.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H98 Cu4 Mo12 N16 O60 P
Calculated formula	C120 H98 Cu4 Mo12 N16 O60 P
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	14.386 ± 0.001 Å
b	14.6213 ± 0.001 Å
c	18.0964 ± 0.0013 Å
α	98.825 ± 0.002°
β	92.764 ± 0.002°
γ	112.21 ± 0.001°
Cell volume	3458.7 ± 0.4 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 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	0.136
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	0.973
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.	7242633.cif
264067	2021-04-13	cif/ Adding structures of 7242631, 7242632, 7242633, 7242634, 7242635, 7242636 via cif-deposit CGI script.	7242633.cif