Crystallography Open Database

Information card for entry 7714156

Preview

Coordinates	7714156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 B Cl F4 Fe N P Pd S
Calculated formula	C38 H36 B Cl F4 Fe N P Pd S
SMILES	[Pd]1(=C(N([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[cH]2[cH]7[cH]8[cH]9[cH]%102)C)c2c(cccc2)C[S]1C)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
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	18.3903 ± 0.0007 Å
b	17.3243 ± 0.0009 Å
c	21.8453 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	6959.9 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	10
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	7714156.cif