Crystallography Open Database

Information card for entry 7714159

Preview

Coordinates	7714159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H33 B Cl F4 Fe N2 P Pd
Calculated formula	C24 H33 B Cl F4 Fe N2 P Pd
SMILES	[Pd]1(=C(N([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[cH]2[cH]%10[cH]9[cH]8[cH]72)C)c2c(cccc2)C[N]1(C)C)(Cl)[P](C)(C)C.[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	14.8935 ± 0.0004 Å
b	10.3396 ± 0.0003 Å
c	17.0483 ± 0.0005 Å
α	90°
β	95.193 ± 0.001°
γ	90°
Cell volume	2614.54 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0243
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0599
Weighted residual factors for all reflections included in the refinement	0.061
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.	7714159.cif