Crystallography Open Database

Information card for entry 7049054

Preview

Coordinates	7049054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H74 B F25 N4 O6 Ru
Calculated formula	C77 H74 B F25 N4 O6 Ru
Title of publication	Heterobimetallic ruthenium-zinc complexes with bulky N-heterocyclic carbenes: syntheses, structures and reactivity.
Authors of publication	Espinal-Viguri, Maialen; Varela-Izquierdo, Victor; Miloserdov, Fedor M.; Riddlestone, Ian M.; Mahon, Mary F.; Whittlesey, Michael K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	13
Pages of publication	4176 - 4189
a	14.96 ± 0.0004 Å
b	15.8674 ± 0.0005 Å
c	16.5741 ± 0.0005 Å
α	87.261 ± 0.003°
β	80.381 ± 0.002°
γ	75.276 ± 0.002°
Cell volume	3751.5 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0813
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1407
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224276 (current)	2019-11-08	cif/ Updating files of 7049052, 7049053, 7049054, 7049055, 7049056, 7049057, 7049058, 7049059, 7049060, 7049061 Original log message: Adding full bibliography for 7049052--7049061.cif.	7049054.cif
213714	2019-02-20	cif/ Adding structures of 7049052, 7049053, 7049054, 7049055, 7049056, 7049057, 7049058, 7049059, 7049060, 7049061 via cif-deposit CGI script.	7049054.cif