Crystallography Open Database

Information card for entry 7244017

Preview

Coordinates	7244017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H72 Br14 Mo6 N2
Calculated formula	C32 H72 Br14 Mo6 N2
Title of publication	Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]
Authors of publication	Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki
Journal of publication	CrystEngComm
Year of publication	2022
Journal volume	24
Journal issue	3
Pages of publication	465 - 470
a	13.0071 ± 0.001 Å
b	11.6664 ± 0.0009 Å
c	19.0278 ± 0.0014 Å
α	90°
β	90.481 ± 0.003°
γ	90°
Cell volume	2887.3 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
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	0.0792
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.177
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
272627 (current)	2022-02-04	cif/ Updating files of 7244016, 7244017, 7244018 Original log message: Adding full bibliography for 7244016--7244018.cif.	7244017.cif
271256	2021-12-08	cif/ Adding structures of 7244016, 7244017, 7244018 via cif-deposit CGI script.	7244017.cif