Crystallography Open Database

Information card for entry 4074807

Preview

Coordinates	4074807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 N2 Pt
Calculated formula	C25 H25 N2 Pt
SMILES	[Pt]1([N](=C(C(=[N]1c1ccc(cc1)C)C)C)c1ccc(cc1)C)(C)c1ccccc1
Title of publication	Improved One-Pot Synthesis of Mixed Methyl−Aryl Platinum(II) Diimine Complexes
Authors of publication	Lersch, Martin; Dalhus, Bjørn; Bercaw, John E.; Labinger, Jay; Tilset, Mats
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	4
Pages of publication	1055
a	26.9672 ± 0.0007 Å
b	8.8779 ± 0.0002 Å
c	18.9608 ± 0.0005 Å
α	90°
β	107.046 ± 0.001°
γ	90°
Cell volume	4340.03 ± 0.19 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	4
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	0.0618
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.194
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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