Crystallography Open Database

Information card for entry 4346389

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Structure parameters

Formula	C69 H54 B F20 P6 Re
Calculated formula	C69 H54 B F20 P6 Re
SMILES	[Re]123([P](C)(C)C[P]1(c1ccccc1)c1ccccc1)([P](C)(C)C[P]2(c1ccccc1)c1ccccc1)[P](C)(C)C[P]3(c1ccccc1)c1ccccc1.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Homoleptic Tris-Diphosphine Re(I) and Re(II) Complexes and Re(II) Photophysics and Photochemistry.
Authors of publication	Adams, Jeramie J.; Arulsamy, Navamoney; Sullivan, B. Patrick; Roddick, Dean M.; Neuberger, Amelia; Schmehl, Russell H.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	23
Pages of publication	11136 - 11149
a	11.092 ± 0.0003 Å
b	33.3161 ± 0.001 Å
c	18.1664 ± 0.0005 Å
α	90°
β	106.266 ± 0.002°
γ	90°
Cell volume	6444.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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