Crystallography Open Database

Information card for entry 2020849

2020848 << 2020849 >> 2020850

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Structure parameters

Chemical name	Dichlorido{5,6-dimethyl-2-(pyridin-2-yl)-1-(pyridin-2-ylmethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^}platinum(II)
Formula	C20 H18 Cl2 N4 Pt
Calculated formula	C20 H18 Cl2 N4 Pt
SMILES	[Pt]1([n]2c(c3[n]1c1c(n3Cc3ncccc3)cc(c(c1)C)C)cccc2)(Cl)Cl
Title of publication	A luminescent bis(pyridyl)-substituted benzimidazole platinum(II) complex exhibiting an intermolecular anagostic interaction
Authors of publication	DeStefano, Matthew R.; Geiger, David K.
Journal of publication	Acta Crystallographica Section C
Year of publication	2017
Journal volume	73
Journal issue	9
a	10.6134 ± 0.0014 Å
b	15.7166 ± 0.0016 Å
c	11.8754 ± 0.0017 Å
α	90°
β	100.376 ± 0.005°
γ	90°
Cell volume	1948.5 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.0506
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
199699 (current)	2017-08-10	cif/ hkl/ Adding structures of 2020849 via cif-deposit CGI script.	2020849.cif 2020849.hkl