Crystallography Open Database

Information card for entry 7125719

Preview

Coordinates	7125719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H38 Ag4 I6 N4
Calculated formula	C18 H38 Ag4 I6 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	14.9129 ± 0.0005 Å
b	14.9759 ± 0.0006 Å
c	15.1499 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3383.5 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
246450 (current)	2020-01-03	cif/ Adding structures of 7125719, 7125720, 7125721 via cif-deposit CGI script.	7125719.cif