Crystallography Open Database

Information card for entry 7714153

Preview

Coordinates	7714153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H27 Cl P2 Pd S
Calculated formula	C14 H27 Cl P2 Pd S
SMILES	[Pd](Cl)([P](C)(C)C)([P](C)(C)C)c1c(cccc1)CSC
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	16.2283 ± 0.0009 Å
b	10.6693 ± 0.0005 Å
c	11.2552 ± 0.0006 Å
α	90°
β	100.13 ± 0.002°
γ	90°
Cell volume	1918.4 ± 0.17 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0172
Residual factor for significantly intense reflections	0.0169
Weighted residual factors for significantly intense reflections	0.0424
Weighted residual factors for all reflections included in the refinement	0.0426
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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.	7714153.cif