Crystallography Open Database

Information card for entry 7702259

Preview

Coordinates	7702259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H50 Cl2 F6 Fe2 N2 O8 P2 Pd S2
Calculated formula	C53 H50 Cl2 F6 Fe2 N2 O8 P2 Pd S2
Title of publication	Versatile coordination and C-H activation of a multi-donor phosphinoferrocene carboxamide ligand in Pd(ii) complexes.
Authors of publication	Horký, Filip; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	43
Pages of publication	16412 - 16425
a	13.3402 ± 0.0003 Å
b	10.6845 ± 0.0002 Å
c	19.5177 ± 0.0004 Å
α	90°
β	97.843 ± 0.001°
γ	90°
Cell volume	2755.9 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	10
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0743
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
237903 (current)	2019-11-24	cif/ Adding structures of 7702256, 7702257, 7702258, 7702259, 7702260, 7702261, 7702262 via cif-deposit CGI script.	7702259.cif