Crystallography Open Database

Information card for entry 7117204

Preview

Coordinates	7117204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H108 Cr Mo6 N5 O28
Calculated formula	C46 H108 Cr Mo6 N5 O29
Title of publication	Unprecedented chi isomers of single-side triol-functionalized Anderson polyoxometalates and their proton-controlled isomer transformation
Authors of publication	Jiangwei Zhang; Zhenhua Liu; Yichao Huang; Jin zhang; Jian Hao; Yongge Wei
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	9097
a	13.6865 ± 0.0008 Å
b	13.7366 ± 0.0008 Å
c	21.5248 ± 0.0009 Å
α	86.727 ± 0.004°
β	83.692 ± 0.004°
γ	62.304 ± 0.006°
Cell volume	3561.4 ± 0.4 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	0.0489
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7117204.html