Crystallography Open Database

Information card for entry 7045444

Preview

Coordinates	7045444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H67 Co2 Cr0.33 Cu3 N6 O20.5 S6
Calculated formula	C30 H54 Co2 Cr0.333333 Cu3 N6 O14 S6
Title of publication	A stable thiolato-Cu<sup>I</sup>-thiolato triple linkage that bridges two cobalt(iii) centres.
Authors of publication	Oya, Naoyuki; Yamada, Mihoko; Surinwong, Sireenart; Kuwamura, Naoto; Konno, Takumi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	8
Pages of publication	2497 - 2500
a	24.812 ± 0.005 Å
b	24.812 ± 0.005 Å
c	67.434 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	35953 ± 11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.2139
Residual factor for significantly intense reflections	0.076
Weighted residual factors for significantly intense reflections	0.1667
Weighted residual factors for all reflections included in the refinement	0.2217
Goodness-of-fit parameter for all reflections included in the refinement	0.834
Diffraction radiation wavelength	0.701 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229394 (current)	2019-11-17	cif/ Updating files of 7045443, 7045444 Original log message: Adding full bibliography for 7045443--7045444.cif.	7045444.cif
205865	2018-01-30	cif/ Adding structures of 7045443, 7045444 via cif-deposit CGI script.	7045444.cif