Crystallography Open Database

Information card for entry 7042215

Preview

Coordinates	7042215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H40 B2 F11 Fe P3 Pd
Calculated formula	C52 H40 B2 F11 Fe P3 Pd
Title of publication	Monodentate phosphine substitution in [Pd(κ(3)-dppf)(PR3)][BF4]2 (dppf = 1,1'-bis(diphenylphosphino)ferrocene) compounds.
Authors of publication	Cabrera, K. D.; Rowland, A. T.; Szarko, J. M.; Diaconescu, P. L.; Bezpalko, M. W.; Kassel, W. S.; Nataro, C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	17
Pages of publication	5702 - 5710
a	17.9819 ± 0.0015 Å
b	16.6637 ± 0.0014 Å
c	17.6944 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	5302 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for all reflections	0.095
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.095
Goodness-of-fit parameter for all reflections included in the refinement	0.9944
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
196396 (current)	2017-05-06	cif/ Updating files of 7042215 Original log message: Adding full bibliography for 7042215.cif.	7042215.cif
192704	2017-03-02	cif/ Adding structures of 7042215 via cif-deposit CGI script.	7042215.cif