Crystallography Open Database

Information card for entry 4123405

Preview

Coordinates	4123405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120.74 H125.74 Cl2.22 N10 Ni2.5
Calculated formula	C120.738 H125.738 Cl2.214 N10 Ni2.5
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	28.63 ± 0.02 Å
b	36.9 ± 0.03 Å
c	29.71 ± 0.02 Å
α	90°
β	115.111 ± 0.015°
γ	90°
Cell volume	28421 ± 4 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
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	0.1406
Residual factor for significantly intense reflections	0.1152
Weighted residual factors for significantly intense reflections	0.311
Weighted residual factors for all reflections included in the refinement	0.3422
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4123405.cif
132895	2015-03-04	cif/ Updating files of 4123405, 4123406, 4123407 Original log message: Adding full bibliography for 4123405--4123407.cif.	4123405.cif
131158	2015-02-05	cif/ Adding structures of 4123405 via cif-deposit CGI script.	4123405.cif