Crystallography Open Database

Information card for entry 7016335

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Coordinates	7016335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C188 H216 Ir2 N26 Ni2 O2
Calculated formula	C170 H189 Ir2 N17 Ni2 O2
Title of publication	Peripherally cyclometalated iridium complexes of dipyridylporphyrin.
Authors of publication	Yoshida, Keita; Nakashima, Takumi; Yamaguchi, Shigeru; Osuka, Atsuhiro; Shinokubo, Hiroshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	35
Pages of publication	8773 - 8775
a	13.195 ± 0.005 Å
b	17.79 ± 0.005 Å
c	35.311 ± 0.005 Å
α	86.438 ± 0.005°
β	84.753 ± 0.005°
γ	81.444 ± 0.005°
Cell volume	8152 ± 4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1101
Residual factor for significantly intense reflections	0.0849
Weighted residual factors for significantly intense reflections	0.2072
Weighted residual factors for all reflections included in the refinement	0.2166
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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