Crystallography Open Database

Information card for entry 4350200

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Coordinates	4350200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H37 Cl N6 O5.5 Ru2
Calculated formula	C42 H37 Cl N6 O5.5 Ru2
Title of publication	Equatorially connected diruthenium(II,III) units toward paramagnetic supramolecular structures with singular magnetic properties.
Authors of publication	Barral, M. Carmen; Gallo, Teresa; Herrero, Santiago; Jiménez-Aparicio, Reyes; Torres, M. Rosario; Urbanos, Francisco A.
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	9
Pages of publication	3639 - 3647
a	13.3142 ± 0.0017 Å
b	14.4645 ± 0.0019 Å
c	14.967 ± 0.002 Å
α	94.827 ± 0.002°
β	115.42 ± 0.002°
γ	114.495 ± 0.002°
Cell volume	2245.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1671
Weighted residual factors for all reflections included in the refinement	0.1923
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
239779 (current)	2019-11-25	cif/ Adding structures of 4350199, 4350200 via cif-deposit CGI script.	4350200.cif