Crystallography Open Database

Information card for entry 4316909

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Structure parameters

Formula	C116 H104 Cl8 Cu4 F12 N2 O4 P10
Calculated formula	C116 H104 Cl8 Cu4 F12 N2 O4 P10
SMILES	C1[P](c2ccccc2)(c2ccccc2)[Cu]23[O]=C(O[Cu]([P](c4ccccc4)(c4ccccc4)C[P]2(c2ccccc2)c2ccccc2)[P]1(c1ccccc1)c1ccccc1)c1c[n](ccc1)[Cu]12[O]=C(c4c[n]3ccc4)O[Cu]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
Title of publication	One-Pot Conditional Self-Assembly of Multicopper Metallacycles
Authors of publication	Kom-Bei Shiu; Shih-An Liu; Gene-Hsiang Lee
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9902 - 9908
a	12.0588 ± 0.0002 Å
b	25.352 ± 0.0004 Å
c	19.3009 ± 0.0003 Å
α	90°
β	103.992 ± 0.001°
γ	90°
Cell volume	5725.5 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1054
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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