Crystallography Open Database

Information card for entry 1576520

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Coordinates	1576520.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C49H59NZn
Formula	C49 H59 N Zn
Calculated formula	C49 H59 N Zn
Title of publication	Zincafluorene complex with an empty C-Zn π orbital that captures visible light.
Authors of publication	Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	6
Pages of publication	3023 - 3030
a	16.0503 ± 0.0004 Å
b	18.7163 ± 0.0005 Å
c	26.6927 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	8018.5 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1509
Weighted residual factors for all reflections included in the refinement	0.1626
Goodness-of-fit parameter for all reflections included in the refinement	1.187
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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