Crystallography Open Database

Information card for entry 7039712

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Coordinates	7039712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103 H83 F8 Ir2 N23 O7
Calculated formula	C103 H82 F8 Ir2 N23 O7
Title of publication	Synthesis and photophysical properties of Ir(iii)/Re(i) dyads: control of Ir→Re photoinduced energy transfer.
Authors of publication	Saad, Suad T.; Metherell, Alexander J.; Baggaley, Elizabeth; Ward, Michael D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	28
Pages of publication	11568 - 11579
a	25.9203 ± 0.001 Å
b	31.5176 ± 0.0008 Å
c	46.0262 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	37600.9 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1236
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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