Crystallography Open Database

Information card for entry 7707398

Preview

Coordinates	7707398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H16 I8 Mo6 N2 O15
Calculated formula	H16 I8 Mo6 N2 O15
Title of publication	Optical property trends in a family of {Mo<sub>6</sub>I<sub>8</sub>} aquahydroxo complexes.
Authors of publication	Marchuk, Margarita V.; Vorotnikova, Natalya A.; Vorotnikov, Yuri A.; Kuratieva, Natalia V.; Stass, Dmitri V.; Shestopalov, Michael A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	25
Pages of publication	8794 - 8802
a	10.5553 ± 0.0003 Å
b	11.5145 ± 0.0003 Å
c	12.9195 ± 0.0003 Å
α	78.837 ± 0.001°
β	78.265 ± 0.001°
γ	67.511 ± 0.001°
Cell volume	1408.8 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0211
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0466
Weighted residual factors for all reflections included in the refinement	0.0478
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
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
267177 (current)	2021-07-05	cif/ Updating files of 7707398, 7707399, 7707400 Original log message: Adding full bibliography for 7707398--7707400.cif.	7707398.cif
265290	2021-05-18	cif/ Adding structures of 7707398, 7707399, 7707400 via cif-deposit CGI script.	7707398.cif