Crystallography Open Database

Information card for entry 4350585

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Coordinates	4350585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H78 Cu2 F12 N4 O4 P2
Calculated formula	C60 H68 Cu2 F12 N4 O4 P2
Title of publication	Modeling the mononuclear, dinuclear, and trinuclear copper(I) reaction centers of copper proteins using pyridylalkylamine ligands connected to 1,3,5-triethylbenzene spacer.
Authors of publication	Ohi, Hiromi; Tachi, Yoshimitsu; Itoh, Shinobu
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	26
Pages of publication	10825 - 10835
a	11.318 ± 0.004 Å
b	11.66 ± 0.004 Å
c	12.129 ± 0.004 Å
α	86.849 ± 0.013°
β	78.394 ± 0.015°
γ	87.442 ± 0.014°
Cell volume	1564.6 ± 0.9 Å³
Cell temperature	161.1 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 significantly intense reflections	0.0479
Weighted residual factors for all reflections included in the refinement	0.0607
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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