Crystallography Open Database

Information card for entry 4331108

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Coordinates	4331108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H72 F12 Ir2 N8 O4 P2
Calculated formula	C96 H72 F12 Ir2 N8 O4 P2
Title of publication	Panchromic Cationic Iridium(III) Complexes
Authors of publication	Kamrul Hasan; Eli Zysman-Colman
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12560 - 12564
a	9.2861 ± 0.0002 Å
b	11.2334 ± 0.0003 Å
c	20.2036 ± 0.0005 Å
α	97.954 ± 0.001°
β	95.336 ± 0.002°
γ	102.729 ± 0.001°
Cell volume	2019.25 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 all reflections	0.0268
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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