Crystallography Open Database

Information card for entry 7117741

Preview

Coordinates	7117741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 B11 Br Cl10 F4 O5 P2 Pd S
Calculated formula	C26 H36 B11 Br Cl10 F4 O5 P2 Pd S
SMILES	[Pd]12([Br]c3ccccc3)[P](Oc3c1c(O[P]2(C(C)C)C(C)C)cc(F)c3)(C(C)C)C(C)C.Cl[B]1234[B]567(Cl)[B]89%10(Cl)[B]%11%12%13([B]%141(Cl)([B]1%15%12([B]%129%11([B]968([B]625(Cl)[B]3%141(Cl)[B]%15%1296OS(=O)(=O)C(F)(F)F)Cl)Cl)Cl)[CH]47%10%13)Cl
Title of publication	Triflyloxy-substituted carboranes as useful weakly coordinating anions
Authors of publication	Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	14034
a	14.099 ± 0.006 Å
b	12.676 ± 0.005 Å
c	28.345 ± 0.012 Å
α	90°
β	102.072 ± 0.005°
γ	90°
Cell volume	4954 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	10
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	0.039
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0634
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
153893 (current)	2015-09-02	cif/ Adding structures of 7117735, 7117736, 7117737, 7117738, 7117739, 7117740, 7117741, 7117742, 7117743, 7117744 via cif-deposit CGI script.	7117741.cif