Crystallography Open Database

Information card for entry 7125721

Preview

Coordinates	7125721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H38 Ag4 I6 N4
Calculated formula	C17.9998 H37.9986 Ag3.9996 I5.9994 N4
Title of publication	Multi-step structural phase transitions with novel symmetry breaking and inverse symmetry breaking characteristics in a [Ag<sub>4</sub>I<sub>6</sub>]<sup>2-</sup> cluster hybrid crystal.
Authors of publication	Zhang, Jin; Yao, Wan-Wan; Sang, Lei; Pan, Xue-Wei; Wang, Xiao-Zu; Liu, Wen-Long; Wang, Lifeng; Ren, Xiao-Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	3
Pages of publication	462 - 465
a	15.141 ± 0.0009 Å
b	15.141 ± 0.0009 Å
c	15.141 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3471.1 ± 0.4 Å³
Cell temperature	408 K
Ambient diffraction temperature	408 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.117
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
246450 (current)	2020-01-03	cif/ Adding structures of 7125719, 7125720, 7125721 via cif-deposit CGI script.	7125721.cif