Crystallography Open Database

Information card for entry 1564628

Preview

Coordinates	1564628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H38 Cl8 N2 O5 Ru
Calculated formula	C27 H38 Cl8 N2 O5 Ru
SMILES	[Ru]12345(Cl)(Cl)([c]6([cH]4[c]3([cH]5[c]1([cH]26)C)C)C)=C1N(C)C=CN1C[C@H]1O[C@H]2[C@H](OC(O2)(C)C)[C@H]2OC(O[C@@H]12)(C)C.ClC(Cl)Cl.ClC(Cl)Cl
Title of publication	Piano stool complexes of N-heterocyclic carbene ligands bearing a galactose-derived substituent
Authors of publication	Bandaru, Sravan K.; Thomas, Hayden P.; Saunders, Graham C.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	508
Pages of publication	119651
a	7.86878 ± 0.00013 Å
b	19.0328 ± 0.0004 Å
c	12.1261 ± 0.0002 Å
α	90°
β	99.9494 ± 0.0017°
γ	90°
Cell volume	1788.75 ± 0.06 Å³
Cell temperature	99.97 ± 0.1 K
Ambient diffraction temperature	99.97 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections included in the refinement	1.0186
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269128 (current)	2021-09-14	cif/ Adding structures of 1564627, 1564628, 1564629 via cif-deposit CGI script.	1564628.cif