Crystallography Open Database

Information card for entry 4123394

Preview

Coordinates	4123394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H184.96 F20 N14 Ni2
Calculated formula	C192 H184.96 F20 N14 Ni2
Title of publication	meso-meso Linked Porphyrin-[26]Hexaphyrin-Porphyrin Hybrid Arrays and Their Triply Linked Tapes Exhibiting Strong Absorption Bands in the NIR Region.
Authors of publication	Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	5
Pages of publication	2097 - 2106
a	16.3245 ± 0.0003 Å
b	25.3066 ± 0.0005 Å
c	20.3499 ± 0.0004 Å
α	90°
β	97.9906 ± 0.0007°
γ	90°
Cell volume	8325.3 ± 0.3 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.114
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.2272
Weighted residual factors for all reflections included in the refinement	0.2589
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179035 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/33.	4123394.cif
132908	2015-03-04	cif/ Updating files of 4123391, 4123392, 4123393, 4123394, 4123395 Original log message: Adding full bibliography for 4123391--4123395.cif.	4123394.cif
130610	2015-02-04	cif/ Adding structures of 4123394 via cif-deposit CGI script.	4123394.cif