Crystallography Open Database

Information card for entry 4307057

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Coordinates	4307057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 F2 N O2 Pt
Calculated formula	C25 H26.5 F2 N O2 Pt
Title of publication	Cyclometallated Iridium and Platinum Complexes with Noninnocent Ligands
Authors of publication	Bhavna Hirani; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Jonas Oxgaard; Petter Persson; Scott R. Wilson; Robert Bau; William A. Goddard; Mark E. Thompson
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3865 - 3875
a	28.4405 ± 0.0012 Å
b	6.8183 ± 0.0003 Å
c	23.5381 ± 0.0011 Å
α	90°
β	97.029 ± 0.002°
γ	90°
Cell volume	4530.1 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0925
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	0.901
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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