Crystallography Open Database

Information card for entry 1519000

1518999 << 1519000 >> 1519001

Preview

Coordinates	1519000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H142 N4 Ni O2
Calculated formula	C136 H142 N4 Ni O2
Title of publication	Phenalenyl-fused porphyrins with different ground states
Authors of publication	Zeng, Wangdong; Lee, Sangsu; Son, Minjung; Ishida, Masatoshi; Furukawa, Ko; Hu, Pan; Sun, Zhe; Kim, Dongho; Wu, Jishan
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	4
Pages of publication	2427
a	12.8361 ± 0.0014 Å
b	15.5717 ± 0.0018 Å
c	15.9281 ± 0.0017 Å
α	100.921 ± 0.004°
β	109.976 ± 0.004°
γ	108.18 ± 0.004°
Cell volume	2682 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519000.cif
134884	2015-04-05	cif/ Adding structures of 1519000, 1519001, 1519002 via cif-deposit CGI script.	1519000.cif