Crystallography Open Database

Information card for entry 4516262

Preview

Coordinates	4516262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H60 Cl8 P2 Ru2
Calculated formula	C58 H60 Cl8 P2 Ru2
SMILES	C[c]12[cH]3[cH]4[c]5([cH]6[cH]1[Ru]23456([P](c1ccc(c2ccc([P](c3ccccc3)(c3ccccc3)[Ru]34567([c]8([cH]3[cH]4[c]5([cH]6[cH]78)C)C(C)C)(Cl)Cl)cc2)cc1)(c1ccccc1)c1ccccc1)(Cl)Cl)C(C)C.C(Cl)Cl.C(Cl)Cl
Title of publication	Reversible Guest Removal and Selective Guest Exchange with a Covalent Dinuclear Wheel-and-Axle Metallorganic Host Constituted by Half-Sandwich Ru(II) Wheels Connected by a Linear Diphosphine Axle
Authors of publication	Bacchi, Alessia; Bourne, Susan; Cantoni, Giulia; Cavallone, Silvia A. M.; Mazza, Simona; Mehlana, Gift; Pelagatti, Paolo; Righi, Lara
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	4
Pages of publication	1876
a	9.709 ± 0.016 Å
b	18.44 ± 0.03 Å
c	16.53 ± 0.03 Å
α	90°
β	99.02 ± 0.02°
γ	90°
Cell volume	2923 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1838
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.1879
Weighted residual factors for all reflections included in the refinement	0.2478
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
231216 (current)	2019-11-22	cif/ Adding structures of 4516262 via cif-deposit CGI script.	4516262.cif