Crystallography Open Database

Information card for entry 1556883

Preview

Coordinates	1556883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C540 H360 B6 F144 P24 Pd12 S48
Calculated formula	C540 H360 B6 F144 P24 Pd12 S48
Title of publication	Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds
Authors of publication	Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	4
Pages of publication	1066 - 1078
a	29.421 ± 0.004 Å
b	31.324 ± 0.005 Å
c	35.123 ± 0.005 Å
α	92.011 ± 0.003°
β	91.984 ± 0.003°
γ	99.304 ± 0.003°
Cell volume	31897 ± 8 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	0.2699
Residual factor for significantly intense reflections	0.177
Weighted residual factors for significantly intense reflections	0.3523
Weighted residual factors for all reflections included in the refinement	0.3959
Goodness-of-fit parameter for all reflections included in the refinement	1.204
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
257313 (current)	2020-10-06	cif/ Updating files of 1556876, 1556877, 1556878, 1556879, 1556880, 1556881, 1556882, 1556883 Original log message: Adding full bibliography for 1556876--1556883.cif.	1556883.cif
247635	2020-02-04	cif/ Updating files of 1556876, 1556877, 1556878, 1556879, 1556880, 1556881, 1556882, 1556883 Original log message: Adding full bibliography for 1556876--1556883.cif.	1556883.cif
246360	2020-01-01	cif/ Adding structures of 1556882, 1556883 via cif-deposit CGI script.	1556883.cif