Crystallography Open Database

Information card for entry 7701907

7701906 << 7701907 >> 7701908

Preview

Coordinates	7701907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H65 Br2 Mo12 N3 O52 S
Calculated formula	C46 H65 Br2 Mo12 N3 O52 S
Title of publication	Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.
Authors of publication	Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	39
Pages of publication	14001 - 14007
a	10.959 ± 0.002 Å
b	11.734 ± 0.002 Å
c	16.501 ± 0.003 Å
α	70.25 ± 0.03°
β	79.77 ± 0.03°
γ	83.85 ± 0.03°
Cell volume	1962.8 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0449
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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
227808 (current)	2019-11-15	cif/ Adding structures of 7701905, 7701906, 7701907, 7701908, 7701909 via cif-deposit CGI script.	7701907.cif