Crystallography Open Database

Information card for entry 7231885

Preview

Coordinates	7231885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H35 Ca0 Cu Mo5 N6 O28.5 P2
Calculated formula	C6 H24 Cu Mo5 N6 O28.5 P2
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	14.8162 ± 0.0009 Å
b	14.5193 ± 0.0009 Å
c	16.0799 ± 0.001 Å
α	90°
β	109.266 ± 0.001°
γ	90°
Cell volume	3265.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0178
Residual factor for significantly intense reflections	0.0176
Weighted residual factors for significantly intense reflections	0.0456
Weighted residual factors for all reflections included in the refinement	0.0457
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
223739 (current)	2019-11-07	cif/ Updating files of 7231885, 7231886 Original log message: Adding full bibliography for 7231885--7231886.cif.	7231885.cif
212201	2018-11-28	cif/ Adding structures of 7231885, 7231886 via cif-deposit CGI script.	7231885.cif