Crystallography Open Database

Information card for entry 4123407

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Coordinates	4123407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H200 N16 Ni4
Calculated formula	C192 H200 N16 Ni4
Title of publication	Cyclic 2,12-porphyrinylene nanorings as a porphyrin analogue of cycloparaphenylenes.
Authors of publication	Jiang, Hua-Wei; Tanaka, Takayuki; Mori, Hirotaka; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	6
Pages of publication	2219 - 2222
a	49.5249 ± 0.001 Å
b	19.1034 ± 0.0004 Å
c	31.0992 ± 0.0006 Å
α	90°
β	125.822 ± 0.0008°
γ	90°
Cell volume	23857.1 ± 0.9 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2111
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1632
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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