Crystallography Open Database

Information card for entry 7242226

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Coordinates	7242226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H80 B2 N4 Zn
Calculated formula	C74 H80 B2 N4 Zn
Title of publication	Bridging-arylene effects on spectroscopic and photophysical properties of arylborane‒dipyrrinato zinc(ii) complexes
Authors of publication	Takaki, Koyo; Sakuda, Eri; Ito, Akitaka; Horiuchi, Shinnosuke; Arikawa, Yasuhiro; Umakoshi, Keisuke
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	11
Pages of publication	6259 - 6267
a	26.536 ± 0.004 Å
b	26.536 ± 0.004 Å
c	26.536 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	18686 ± 5 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.28
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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