Crystallography Open Database

Information card for entry 7127714

Preview

Coordinates	7127714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H48 N10 O16 Pd Rh2 S6
Calculated formula	C18 H48 N10 O16 Pd Rh2 S6
SMILES	[Rh]12345[S](CCC[NH2]3)[Pd]36([S](CCC[NH2]7)[Rh]897([S]3CCC[NH2]8)[S]6CCC[NH2]9)([S]1CCC[NH2]4)[S]2CCC[NH2]5.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O
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	13.8176 ± 0.0003 Å
b	12.4115 ± 0.0002 Å
c	23.4669 ± 0.0004 Å
α	90°
β	97.207 ± 0.007°
γ	90°
Cell volume	3992.71 ± 0.14 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7127714.cif
260181	2020-12-29	cif/ Adding structures of 7127714, 7127715, 7127716, 7127717 via cif-deposit CGI script.	7127714.cif