Crystallography Open Database

Information card for entry 2203685

2203684 << 2203685 >> 2203686

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Structure parameters

Formula	C20 H18 Cl2 F6 Ir N6 P
Calculated formula	C20 H18 Cl2 F6 Ir N6 P
SMILES	[Ir]12(Cl)(Cl)([n]3ccccc3Nc3[n]1cccc3)[n]1ccccc1Nc1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	<i>cis</i>-Dichlorobis(di-2-pyridylamine)iridium(III) hexafluorophosphate
Authors of publication	Yoshikawa, Naokazu; Sakamoto, Jun; Kanehisa, Nobuko; Kai, Yasushi; Takashima, Hiroshi; Tsukahara, Keiichi
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	5
Pages of publication	m546 - m547
a	7.692 ± 0.0008 Å
b	12.94 ± 0.001 Å
c	13.229 ± 0.001 Å
α	68.958 ± 0.003°
β	75.775 ± 0.004°
γ	79.76 ± 0.006°
Cell volume	1185.41 ± 0.18 Å³
Cell temperature	296.2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.719
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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