Crystallography Open Database

Information card for entry 1568417

Preview

Coordinates	1568417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H121 N9 Ni2 O10
Calculated formula	C105 H117 N9 Ni2 O10
Title of publication	Structurally well-defined conjugated <i>meso</i>-aminoporphyrin oligomers analogous to polyanilines.
Authors of publication	Yamashita, Ken-Ichi; Takeuchi, Shouichi; Sugiura, Ken-Ichi
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	10
Pages of publication	2735 - 2744
a	21.23 ± 0.013 Å
b	28.36 ± 0.016 Å
c	16.32 ± 0.01 Å
α	90°
β	105.11 ± 0.007°
γ	90°
Cell volume	9486 ± 10 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1819
Residual factor for significantly intense reflections	0.1137
Weighted residual factors for significantly intense reflections	0.2902
Weighted residual factors for all reflections included in the refinement	0.352
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
282280 (current)	2023-04-04	cif/ Updating files of 1568417 Original log message: Adding full bibliography for 1568417.cif.	1568417.cif
280953	2023-02-20	cif/ Adding structures of 1568417 via cif-deposit CGI script.	1568417.cif