Crystallography Open Database

Information card for entry 7231886

Preview

Coordinates	7231886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H78 Cu4 Mo10 N12 O65 P4
Calculated formula	C12 H40 Cu4 Mo10 N12 O65 P4
Title of publication	A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity
Authors of publication	Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	3
Pages of publication	394
a	28.685 ± 0.012 Å
b	18.298 ± 0.008 Å
c	18.24 ± 0.008 Å
α	90°
β	122.743 ± 0.006°
γ	90°
Cell volume	8053 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223739 (current)	2019-11-07	cif/ Updating files of 7231885, 7231886 Original log message: Adding full bibliography for 7231885--7231886.cif.	7231886.cif
212201	2018-11-28	cif/ Adding structures of 7231885, 7231886 via cif-deposit CGI script.	7231886.cif