Crystallography Open Database

Information card for entry 7707367

Preview

Coordinates	7707367.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H62 Cl2 F12 N4 O9 P2 Ru2
Calculated formula	C52 H62 Cl2 F12 N4 O9 P2 Ru2
Title of publication	Unexpected solution behaviour of ester-functionalized half-sandwich Ru(II) and Ir(III) complexes.
Authors of publication	Masaryk, Lukáš; Nemec, Ivan; Kašpárková, Jana; Brabec, Viktor; Štarha, Pavel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	23
Pages of publication	8017 - 8028
a	11.1726 ± 0.0002 Å
b	13.6947 ± 0.0002 Å
c	20.3963 ± 0.0004 Å
α	93.817 ± 0.002°
β	94.469 ± 0.001°
γ	103.933 ± 0.001°
Cell volume	3007.95 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267197 (current)	2021-07-05	cif/ Updating files of 7707364, 7707365, 7707366, 7707367 Original log message: Adding full bibliography for 7707364--7707367.cif.	7707367.cif
265060	2021-05-09	cif/ Adding structures of 7707364, 7707365, 7707366, 7707367 via cif-deposit CGI script.	7707367.cif