Crystallography Open Database

Information card for entry 7705025

Preview

Coordinates	7705025.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	SCIF-2
Formula	C47 H87 In10 N13 S17
Calculated formula	C47 H87 In10 N13 S17
Title of publication	Controllable incorporation of 1,2,4-triazolate into cluster-based metal-chalcogenide frameworks.
Authors of publication	Liu, Xiaoshuang; Xue, Chaozhuang; Wang, Xiang; Zhang, Jiaxu; Wu, Tao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	33
Pages of publication	11489 - 11492
a	20.887 ± 0.004 Å
b	22.592 ± 0.005 Å
c	33.244 ± 0.007 Å
α	90 ± 0.03°
β	90 ± 0.03°
γ	90 ± 0.03°
Cell volume	15687 ± 6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 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	0.0323
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0504
Weighted residual factors for all reflections included in the refinement	0.0517
Goodness-of-fit parameter for all reflections included in the refinement	1.15
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
256073 (current)	2020-09-06	cif/ Updating files of 7705025 Original log message: Adding full bibliography for 7705025.cif.	7705025.cif
254827	2020-08-05	cif/ Adding structures of 7705025 via cif-deposit CGI script.	7705025.cif