Crystallography Open Database

Information card for entry 7061102

Preview

Coordinates	7061102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H34 Cl3 N4 P Pd
Calculated formula	C27 H34 Cl3 N4 P Pd
SMILES	[Pd](Cl)(Cl)(Cl)[P](c1c(NC(=[NH+]C(C)C)NC(C)C)cccc1)(c1ccccc1)c1ccccc1.N#CC
Title of publication	Coordination behaviour of a hybrid phosphinoguanidine ligand
Authors of publication	Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	3
Pages of publication	1060 - 1071
a	9.3439 ± 0.0004 Å
b	10.3772 ± 0.0004 Å
c	16.5278 ± 0.0007 Å
α	91.699 ± 0.001°
β	97.475 ± 0.001°
γ	110.848 ± 0.001°
Cell volume	1479.94 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0158
Residual factor for significantly intense reflections	0.0156
Weighted residual factors for significantly intense reflections	0.0404
Weighted residual factors for all reflections included in the refinement	0.0405
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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