Crystallography Open Database

Information card for entry 7043013

Preview

Coordinates	7043013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 As B F6 Fe P2
Calculated formula	C34 H30 As B F6 Fe P2
SMILES	[As](F)(F)(F)([F-])(F)F.[BH2]1[P]([c]23[cH]4[Fe]56789%102([cH]3[cH]5[cH]46)[c]2([P]1(c1ccccc1)c1ccccc1)[cH]7[cH]8[cH]9[cH]%102)(c1ccccc1)c1ccccc1
Title of publication	Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts
Authors of publication	Hill, Anthony; Ward, Jas S.
Journal of publication	Dalton Trans.
Year of publication	2017
a	10.3352 ± 0.0002 Å
b	10.6422 ± 0.0002 Å
c	15.0052 ± 0.0004 Å
α	74.012 ± 0.002°
β	85.306 ± 0.002°
γ	89.5144 ± 0.0019°
Cell volume	1581.08 ± 0.06 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for all reflections	0.0708
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	0.9615
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
196778 (current)	2017-05-19	cif/ Adding structures of 7043009, 7043010, 7043011, 7043012, 7043013, 7043014, 7043015, 7043016, 7043017, 7043018, 7043019, 7043020, 7043021, 7043022, 7043023, 7043024, 7043025, 7043026, 7043027 via cif-deposit CGI script.	7043013.cif