Crystallography Open Database

Information card for entry 7105549

Preview

Coordinates	7105549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H50 Cl4 Ir2 N2 O2
Calculated formula	C43 H50 Cl4 Ir2 N2 O2
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	27.594 ± 0.009 Å
b	12.355 ± 0.004 Å
c	12.452 ± 0.004 Å
α	90°
β	96.464 ± 0.004°
γ	90°
Cell volume	4218 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0415
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	0.947
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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