Crystallography Open Database

Information card for entry 7703248

Preview

Coordinates	7703248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H60 Br4 Co2 N8 P
Calculated formula	C96 H60 Br4 Co2 N8 P
Title of publication	Intermolecular interactions of tetrabenzoporphyrin- and phthalocyanine-based charge-transfer complexes.
Authors of publication	Nishi, Miki; Hayata, Yuki; Hoshino, Norihisa; Hanasaki, Noriaki; Akutagawa, Tomoyuki; Matsuda, Masaki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	48
Pages of publication	17723 - 17728
a	21.5389 ± 0.0004 Å
b	21.5389 ± 0.0004 Å
c	7.6686 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3557.65 ± 0.1 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	6
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1642
Weighted residual factors for all reflections included in the refinement	0.1769
Goodness-of-fit parameter for all reflections included in the refinement	1.227
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
246606 (current)	2020-01-05	cif/ Adding structures of 7703241, 7703242, 7703243, 7703244, 7703245, 7703246, 7703247, 7703248, 7703249, 7703250 via cif-deposit CGI script.	7703248.cif