Crystallography Open Database

Information card for entry 7238088

Preview

Coordinates	7238088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28.4 Cl3 Mo12 N6 O42.2 P
Calculated formula	C30 H21 Cl3 Mo12 N6 O42.2 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	21.22 ± 0.004 Å
b	15.343 ± 0.003 Å
c	24.707 ± 0.005 Å
α	90°
β	109.23 ± 0.03°
γ	90°
Cell volume	7595 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0782
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.1741
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	7238088.cif