Crystallography Open Database

Information card for entry 7238089

Preview

Coordinates	7238089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H55 Br4 Mo12 N8 O43 P
Calculated formula	C64 H44 Br4 Mo12 N8 O43 P
Title of publication	Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates
Authors of publication	Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	63
Pages of publication	380
a	9.783 ± 0.002 Å
b	14.444 ± 0.003 Å
c	15.724 ± 0.003 Å
α	88.09 ± 0.03°
β	72.05 ± 0.03°
γ	79.4 ± 0.03°
Cell volume	2077 ± 0.8 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	0.0872
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1774
Weighted residual factors for all reflections included in the refinement	0.1966
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
244063 (current)	2019-11-28	cif/ Adding structures of 7238087, 7238088, 7238089, 7238090 via cif-deposit CGI script.	7238089.cif