Crystallography Open Database

Information card for entry 7219011

7219010 << 7219011 >> 7219012

Preview

Coordinates	7219011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H74 I2 Mo12 N6 O52 S
Calculated formula	C60 H74 I2 Mo12 N6 O52 S
Title of publication	Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates
Authors of publication	Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	4
Pages of publication	856
a	11.113 ± 0.002 Å
b	31.24 ± 0.006 Å
c	13.533 ± 0.003 Å
α	90°
β	103.97 ± 0.03°
γ	90°
Cell volume	4559.3 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
180521 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/90.	7219011.cif
133151	2015-03-06	cif/ Updating files of 7219008, 7219009, 7219010, 7219011 Original log message: Adding full bibliography for 7219008--7219011.cif.	7219011.cif
128146	2014-12-05	cif/ Adding structures of 7219008, 7219009, 7219010, 7219011 via cif-deposit CGI script.	7219011.cif