Crystallography Open Database

Information card for entry 7714161

Preview

Coordinates	7714161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 Cl Fe N P Pd S
Calculated formula	C22 H27 Cl Fe N P Pd S
SMILES	[Pd]1(C(=N[c]23[cH]4[Fe]56789%102([cH]4[cH]5[cH]36)[cH]2[cH]%10[cH]9[cH]8[cH]72)c2c(cccc2)C[S]1C)(Cl)[P](C)(C)C
Title of publication	Synthesis and reactivity of Pd(II) imidoyl complexes obtained by insertion of isocyanoferrocene into the Pd-C bonds of orthopalladated precursors
Authors of publication	Franc, Michal; Vosahlo, Petr; Schulz, Jiří; Cisarova, Ivana; Štěpnička, Petr
Journal of publication	Dalton Transactions
Year of publication	2023
a	8.9162 ± 0.0005 Å
b	17.4114 ± 0.0009 Å
c	15.0731 ± 0.0007 Å
α	90°
β	104.774 ± 0.002°
γ	90°
Cell volume	2262.6 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.0241
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.0545
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
286838 (current)	2023-10-07	cif/ Adding structures of 7714153, 7714154, 7714155, 7714156, 7714157, 7714158, 7714159, 7714160, 7714161, 7714162 via cif-deposit CGI script.	7714161.cif