Crystallography Open Database

Information card for entry 4305393

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Coordinates	4305393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H42 Cl4 F3 Ir N2 O3 P2 S
Calculated formula	C51 H42 Cl4 F3 Ir N2 O3 P2 S
Title of publication	Ligand Effects on Luminescence of New Type Blue Light-Emitting Mono(2-phenylpyridinato)iridium(III) Complexes
Authors of publication	Min-Sik Eum; Chong Shik Chin; Song yi Kim; Choongil Kim; Sung Kwon Kang; Nam Hwi Hur; Ji Hoon Seo; Gu Young Kim; Young Kwan Kim
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	6289 - 6295
a	10.4325 ± 0.0008 Å
b	22.5809 ± 0.0016 Å
c	21.5244 ± 0.0016 Å
α	90°
β	91.132 ± 0.002°
γ	90°
Cell volume	5069.6 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.092
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1479
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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