Crystallography Open Database

Information card for entry 7230475

Preview

Coordinates	7230475.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bisANBODIPY-CN
Formula	C106.64 H105.32 B2 Cl2.66 F4 N9.34
Calculated formula	C106.64 H105.32 B2 Cl2.66 F4 N9.34
Title of publication	Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes
Authors of publication	Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	25
Pages of publication	14072
a	9.7204 ± 0.0003 Å
b	12.3536 ± 0.0004 Å
c	20.3225 ± 0.0006 Å
α	79.87 ± 0.006°
β	85.941 ± 0.006°
γ	74.901 ± 0.005°
Cell volume	2318.59 ± 0.14 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.1052
Residual factor for significantly intense reflections	0.081
Weighted residual factors for significantly intense reflections	0.2087
Weighted residual factors for all reflections included in the refinement	0.2216
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
207362 (current)	2018-04-16	cif/ Adding structures of 7230475 via cif-deposit CGI script.	7230475.cif