Crystallography Open Database

Information card for entry 7037283

Preview

Coordinates	7037283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H9 Br3 N3 P
Calculated formula	C15 H9 Br3 N3 P
SMILES	n1c(P(c2nc(Br)ccc2)c2nc(Br)ccc2)cccc1Br
Title of publication	Sterically-constrained tripodal phosphorus-bridged tris-pyridyl ligands.
Authors of publication	Hanf, Schirin; García-Rodríguez, Raúl; Bond, Andrew D.; Hey-Hawkins, Evamarie; Wright, Dominic S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	1
Pages of publication	276 - 283
a	15.7876 ± 0.0006 Å
b	15.7876 ± 0.0006 Å
c	11.1637 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	2409.74 ± 0.17 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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