Crystallography Open Database

Information card for entry 8105104

Preview

Coordinates	8105104.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	dichloro[1,1-di-<i>p</i>-tolyl-<i>N</i>-(2-methylbenzene) phosphinamide-<i>k</i>P](methyl-di-<i>p</i>- tolylphosphinite-<i>k</i>P)-palladium(II)
Formula	C36 H39 Cl2 N O P2 Pd
Calculated formula	C36 H39 Cl2 N O P2 Pd
SMILES	c1(c(cccc1)N[P](c1ccc(cc1)C)(c1ccc(cc1)C)[Pd]([P](c1ccc(cc1)C)(c1ccc(cc1)C)OC)(Cl)Cl)C
Title of publication	Crystal structure of dichlorido(N-o-tolyl-1,1-di-p-tolylphosphanamine–κ1 P)-(methoxydi-p-tolylphosphane-κ1 P)palladium(II), C36H39Cl2NOP2Pd
Authors of publication	Kama, Dumisani V.; Brink, Alice; Roodt, Andreas
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	349 - 352
a	19.209 ± 0.013 Å
b	15.144 ± 0.011 Å
c	24.011 ± 0.019 Å
α	90°
β	90°
γ	90°
Cell volume	6985 ± 9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
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	0.0491
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274794 (current)	2022-05-02	cif/ Adding structures of 8105104 via cif-deposit CGI script.	8105104.cif