Crystallography Open Database

Information card for entry 4123391

Preview

Coordinates	4123391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C180 H156 F20 N14 O2 Zn2
Calculated formula	C180 H156 F20 N14 O2 Zn2
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	13.4503 ± 0.0013 Å
b	19.978 ± 0.0012 Å
c	20.98 ± 0.002 Å
α	70.61 ± 0.02°
β	74.74 ± 0.02°
γ	74.356 ± 0.017°
Cell volume	5026.3 ± 1 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.0924
Residual factor for significantly intense reflections	0.0837
Weighted residual factors for significantly intense reflections	0.2436
Weighted residual factors for all reflections included in the refinement	0.258
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	4123391.cif
132908	2015-03-04	cif/ Updating files of 4123391, 4123392, 4123393, 4123394, 4123395 Original log message: Adding full bibliography for 4123391--4123395.cif.	4123391.cif
130604	2015-02-04	cif/ Adding structures of 4123391 via cif-deposit CGI script.	4123391.cif