Crystallography Open Database

Information card for entry 7105545

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Coordinates	7105545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H96 F12 Ir4 N8 O12 S4
Calculated formula	C92 H96 F12 Ir4 N8 O12 S4
Title of publication	Efficient formation of organoiridium macrocycles via C‒H activation directed self-assembly
Authors of publication	Han, Ying-Feng; Li, Hao; Weng, Lin-Hong; Jin, Guo-Xin
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	20
Pages of publication	3556
a	33.826 ± 0.015 Å
b	18.632 ± 0.008 Å
c	19.427 ± 0.009 Å
α	90°
β	109.08 ± 0.007°
γ	90°
Cell volume	11571 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1173
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	0.758
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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