Crystallography Open Database

Information card for entry 7017263

Preview

Coordinates	7017263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 N2
Calculated formula	C36 H52 N2
SMILES	CC(C)c1cccc(C(C)C)c1NCc1c(c(c(c(c1C)C)CNc1c(C(C)C)cccc1C(C)C)C)C
Title of publication	Chlorometallate and palladium cluster complexes of wide-span diimine and diamine ligands.
Authors of publication	Hart, John S.; Parsons, Simon; Love, Jason B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	45
Pages of publication	12025 - 12027
a	23.679 ± 0.003 Å
b	10.692 ± 0.001 Å
c	26.106 ± 0.004 Å
α	90°
β	109.228 ± 0.014°
γ	90°
Cell volume	6240.7 ± 1.5 Å³
Cell temperature	171 ± 2 K
Ambient diffraction temperature	171 ± 2 K
Number of distinct elements	3
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	0.1018
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1489
Weighted residual factors for all reflections included in the refinement	0.1708
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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