Crystallography Open Database

Information card for entry 4348162

Preview

Coordinates	4348162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Cl N3 O2 Pt
Calculated formula	C18 H16 Cl N3 O2 Pt
SMILES	[Pt]12(c3c(c4[n]1cccc4)cc(NC(=O)C)cc3c1[n]2cccc1)Cl.O
Title of publication	H<sub>2</sub>PO<sub>4</sub><sup>-</sup>- and Solvent-Induced Polymorphism of an Amide-Functionalized [Pt(N^C^N)Cl] Complex.
Authors of publication	Gong, Zhong-Liang; Zhong, Yu-Wu
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	20
Pages of publication	10143 - 10151
a	7.3316 ± 0.0008 Å
b	10.9505 ± 0.0011 Å
c	11.703 ± 0.002 Å
α	63.101 ± 0.003°
β	84.681 ± 0.005°
γ	84.531 ± 0.005°
Cell volume	832.8 ± 0.19 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 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	0.031
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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