Crystallography Open Database

Information card for entry 4509405

Preview

Coordinates	4509405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H20 N8 Pt
Calculated formula	C32 H20 N8 Pt
SMILES	C(#N)C(=C1C=CC(=C(C#N)C#N)C=C1)C#N.c1ccc2c3[n]([Pt]4([n]2c1)[n]1ccccc1c1[n]4cccc1)cccc3
Title of publication	A New Class of TCNQ Derivatives Easily Generated from TCNQH2Containing Discrete TCNQ2−Anions and Noncoordinating Cations
Authors of publication	Hudson, Timothy A.; Robson, Richard
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	4
Pages of publication	1658
a	7.1912 ± 0.0001 Å
b	16.558 ± 0.0001 Å
c	10.4876 ± 0.0001 Å
α	90°
β	93.844 ± 0.001°
γ	90°
Cell volume	1245.97 ± 0.02 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.0664
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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