Crystallography Open Database

Information card for entry 4319567

4319566 << 4319567 >> 4319568

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Structure parameters

Formula	C44 H40 Cu2 F12 N8 O4 P2
Calculated formula	C44 H40 Cu2 F12 N8 O4 P2
SMILES	[Cu]12345[O]6[Cu]78[O]1c1c(cccc1C=[N]8CC[N]7=Cc1c6c(C(OC)(c6[n]2cccc6)c2[n]3cccc2)ccc1)C(OC)(c1[n]4cccc1)c1[n]5cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
Title of publication	Bimetallic Reactivity. Preparation and Properties of Bimetallic Complexes Formed by Binucleating Ligands Bearing 4- and 6-Coordinate Sites
Authors of publication	Louise M. Liable-Sands; Christopher Incarvito; Arnold L. Rheingold; C. Jin Qin; Anna L. Gavrilova; B. Bosnich
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2147 - 2155
a	13.4631 ± 0.0003 Å
b	13.7955 ± 0.0002 Å
c	14.7086 ± 0.0003 Å
α	97.339 ± 0.0003°
β	106.521 ± 0.0007°
γ	113.053 ± 0.0008°
Cell volume	2319.68 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0612
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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