Crystallography Open Database

Information card for entry 7238087

Preview

Coordinates	7238087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H54 Mo12 N8 O40 Si
Calculated formula	C64 H48 Mo12 N8 O40 Si
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	10.779 ± 0.002 Å
b	11.647 ± 0.002 Å
c	17.741 ± 0.004 Å
α	86.46 ± 0.03°
β	83.91 ± 0.03°
γ	63.32 ± 0.03°
Cell volume	1978.6 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1264
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	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.	7238087.cif