Crystallography Open Database

Information card for entry 7233059

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Coordinates	7233059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H56 Cl4 N2 O7 Zn2
Calculated formula	C44 H56 Cl4 N2 O7 Zn2
Title of publication	A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification
Authors of publication	Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	33
Pages of publication	4925
a	21.9384 ± 0.0011 Å
b	9.7692 ± 0.0004 Å
c	21.2029 ± 0.001 Å
α	90°
β	97.634 ± 0.005°
γ	90°
Cell volume	4503.9 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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