Crystallography Open Database

Information card for entry 7043292

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Coordinates	7043292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H33 Br3 N P2 Re
Calculated formula	C30 H33 Br3 N P2 Re
SMILES	[Re]12(Br)(Br)(Br)[P](CC[N]2(CC[P]1(c1ccccc1)c1ccccc1)CC)(c1ccccc1)c1ccccc1
Title of publication	Synthesis and Characterization of Rhenium(III) Complexes with (Ph2PCH2CH2)2NR Diphosphinoamine Ligands
Authors of publication	Salvarese, Nicola; Refosco, Fiorenzo; Seraglia, Roberta; Roverso, Marco; Dolmella, Alessandro; Bolzati, Cristina
Journal of publication	Dalton Trans.
Year of publication	2017
a	12.4502 ± 0.0003 Å
b	19.2607 ± 0.0004 Å
c	13.4211 ± 0.0003 Å
α	90°
β	111.117 ± 0.003°
γ	90°
Cell volume	3002.25 ± 0.13 Å³
Cell temperature	299.8 ± 0.4 K
Ambient diffraction temperature	299.8 ± 0.4 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	0.0251
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0456
Weighted residual factors for all reflections included in the refinement	0.0469
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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