Crystallography Open Database

Information card for entry 1549918

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Coordinates	1549918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H44 Au4 N12 Zn2
Calculated formula	C72 H44 Au4 N12 Zn2
Title of publication	Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.
Authors of publication	Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	44
Pages of publication	8446 - 8452
a	33.219 ± 0.003 Å
b	12.9438 ± 0.001 Å
c	16.3125 ± 0.0013 Å
α	90°
β	111.934 ± 0.003°
γ	90°
Cell volume	6506.3 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	119.94 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0877
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.1969
Weighted residual factors for all reflections included in the refinement	0.209
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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