Crystallography Open Database

Information card for entry 4079155

Preview

Coordinates	4079155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H26 F3 N3 O5 P Re S
Calculated formula	C35 H26 F3 N3 O5 P Re S
Title of publication	Luminescent Rhenium(I) Phenanthroline Complexes with a Benzoxazol-2-ylidene Ligand: Synthesis, Characterization, and Photophysical Study
Authors of publication	Ko, Chi-Chiu; Ng, Chi-On; Yiu, Shek-Man
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	20
Pages of publication	7074
a	11.9288 ± 0.0004 Å
b	17.8388 ± 0.0005 Å
c	17.6239 ± 0.0005 Å
α	90°
β	107.215 ± 0.004°
γ	90°
Cell volume	3582.3 ± 0.2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	8
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	0.0388
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CUKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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