Crystallography Open Database

Information card for entry 7123099

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Coordinates	7123099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H56 Cl6 Ir N2 O2
Calculated formula	C38 H56 Cl6 Ir N2 O2
Title of publication	Stable iridium(iv) complexes supported by tetradentate salen ligands. Synthesis, structures and reactivity
Authors of publication	Lee, Chi Lun; Wu, Liangliang; Huang, Jie-Sheng; Che, Chi-Ming
Journal of publication	Chemical Communications
Year of publication	2019
a	12.6783 ± 0.0007 Å
b	12.9154 ± 0.0007 Å
c	14.6274 ± 0.0008 Å
α	81.889 ± 0.001°
β	73.02 ± 0.001°
γ	65.168 ± 0.001°
Cell volume	2078.5 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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