Crystallography Open Database

Information card for entry 7108780

Preview

Coordinates	7108780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H55 B2 Cl4 Cu2 F8 N4 P3
Calculated formula	C58 H55 B2 Cl4 Cu2 F8 N4 P3
SMILES	c12cccc(C)[n]1[Cu]13[n]4c(cccc4C)[P](c4ccccc4)(c4ccccc4)[Cu]3([N]#CC)([P]2(c2ccccc2)c2ccccc2)[P](c2cccc(C)[n]12)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
Title of publication	A stable and strongly luminescent dinuclear Cu(I) helical complex prepared from 2-diphenylphosphino-6-methylpyridine
Authors of publication	Juan-Jose Cid; John Mohanraj; Meera Mohankumar; Michel Holler; Gianluca Accorsi; Lydia Brelot; Iwona Nierengarten; Omar Moudam; Adrien Kaeser; Beatrice Delavaux-Nicot; Nicola Armaroli; Jean-Francois Nierengarten
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	9
Pages of publication	859 - 861
a	20.8139 ± 0.0005 Å
b	12.7855 ± 0.0004 Å
c	21.9411 ± 0.0005 Å
α	90°
β	94.614 ± 0.002°
γ	90°
Cell volume	5820 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.1122
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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