Crystallography Open Database

Information card for entry 7714155

Preview

Coordinates	7714155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 B F4 Fe N2
Calculated formula	C20 H21 B F4 Fe N2
SMILES	[Fe]12345678([c]9(/N=C%10/[N+](Cc%11c%10cccc%11)(C)C)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81.[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	36.1427 ± 0.0007 Å
b	7.311 ± 0.0002 Å
c	14.53 ± 0.0004 Å
α	90°
β	101.74 ± 0.001°
γ	90°
Cell volume	3759.08 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	7714155.cif