Crystallography Open Database

Information card for entry 7709470

Preview

Coordinates	7709470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H42 Cl4 N14 O10 Os2
Calculated formula	C59 H42 Cl4 N14 O10 Os2
SMILES	[Os]123([n]4ccccc4c4[n]2cccc4)([n]2c(cccc2)c2nc4c(C(=O)c5nc6n([Os]78([n]9c(c%10cccc[n]7%10)cccc9)([n]7ccccc7c7[n]8cccc7)[n]7c6cccc7)c5C4=O)n32)[n]2ccccc2c2[n]1cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].ClCCl
Title of publication	Diosmium compounds containing bis(imidazole)-p-quinone bridging ligands
Authors of publication	Dhara, Suman; Ansari, Mohd. Asif; Schwederski, Brigitte; Filippou, Vasileios; Kaim, Wolfgang; Lahiri, Goutam Kumar
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.1356 ± 0.0002 Å
b	14.8336 ± 0.0004 Å
c	17.2502 ± 0.0004 Å
α	75.546 ± 0.002°
β	89.585 ± 0.002°
γ	88.763 ± 0.002°
Cell volume	3006.29 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0529
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
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
272939 (current)	2022-02-12	cif/ Adding structures of 7709470, 7709471, 7709472 via cif-deposit CGI script.	7709470.cif