Crystallography Open Database

Information card for entry 7045480

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Structure parameters

Formula	C39.5 H37.5 B2 Cl4.5 F6 N4
Calculated formula	C39.5 H37.5 B2 Cl4.5 F6 N4
Title of publication	Boron calixphyrin complexes: exploring the coordination chemistry of a BODIPY/porphyrin hybrid.
Authors of publication	Tay, Aaron Chin Yit; Frogley, Benjamin J.; Ware, David C.; Brothers, Penelope J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	10
Pages of publication	3388 - 3399
a	21.546 ± 0.0009 Å
b	31.96 ± 0.0012 Å
c	11.64 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	8015.4 ± 0.5 Å³
Cell temperature	99 ± 2 K
Ambient diffraction temperature	99 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1827
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1569
Weighted residual factors for all reflections included in the refinement	0.2183
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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