Crystallography Open Database

Information card for entry 1567404

Preview

Coordinates	1567404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H116 Cl2 In2 N4 O8 S4
Calculated formula	C80 H116 Cl2 In2 N4 O8 S4
Title of publication	Mechanosynthesis and photophysics of colour-tunable photoluminescent group 13 metal complexes with sterically demanding salen and salophen ligands.
Authors of publication	Leon, Felix; Li, Chenfei; Reynes, Javier F.; Singh, Varun K.; Lian, Xiao; Ong, How Chee; Hum, Gavin; Sun, Handong; García, Felipe
Journal of publication	Faraday discussions
Year of publication	2023
Journal volume	241
Journal issue	0
Pages of publication	63 - 78
a	14.6788 ± 0.0018 Å
b	16.4689 ± 0.0018 Å
c	19.909 ± 0.002 Å
α	90.361 ± 0.004°
β	105.337 ± 0.004°
γ	106.991 ± 0.004°
Cell volume	4420.6 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1755
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.1384
Weighted residual factors for all reflections included in the refinement	0.1802
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
283356 (current)	2023-05-05	cif/ Updating files of 1567404 Original log message: Adding full bibliography for 1567404.cif.	1567404.cif
277007	2022-07-30	cif/ Adding structures of 1567404 via cif-deposit CGI script.	1567404.cif