Crystallography Open Database

Information card for entry 1549915

Preview

Coordinates	1549915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H44 Au4 Fe2 N12
Calculated formula	C72 H44 Au4 Fe2 N12
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	33.2202 ± 0.0013 Å
b	13.2404 ± 0.0005 Å
c	15.202 ± 0.0005 Å
α	90°
β	113.392 ± 0.001°
γ	90°
Cell volume	6137 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.03 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	0.0933
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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