Crystallography Open Database

Information card for entry 7127717

Preview

Coordinates	7127717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H48 N8 O8.5 Pd Rh2 S6
Calculated formula	C18 H48 N8 O8.5 Pd Rh2 S6
Title of publication	Interconversion between square-planar palladium(ii) and octahedral palladium(iv) centres in a sulfur-bridged trinuclear structure.
Authors of publication	Kouno, Masahiro; Kuwamura, Naoto; Konno, Takumi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	11
Pages of publication	1336 - 1339
a	9.5252 ± 0.0012 Å
b	13.7778 ± 0.0018 Å
c	27.631 ± 0.004 Å
α	102.207 ± 0.007°
β	96.462 ± 0.007°
γ	98.213 ± 0.007°
Cell volume	3469.4 ± 0.8 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	0.2074
Residual factor for significantly intense reflections	0.1011
Weighted residual factors for significantly intense reflections	0.228
Weighted residual factors for all reflections included in the refinement	0.2887
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.7004 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
262510 (current)	2021-03-05	cif/ Updating files of 7127714, 7127715, 7127716, 7127717 Original log message: Adding full bibliography for 7127714--7127717.cif.	7127717.cif
260181	2020-12-29	cif/ Adding structures of 7127714, 7127715, 7127716, 7127717 via cif-deposit CGI script.	7127717.cif