Crystallography Open Database

Information card for entry 1571621

Preview

Coordinates	1571621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H36 Au4 Fe2 N16 O2
Calculated formula	C64 H36 Au4 Fe2 N16 O2
Title of publication	Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.
Authors of publication	Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	24
Pages of publication	9240 - 9248
a	15.3128 ± 0.0006 Å
b	28.0479 ± 0.001 Å
c	28.7796 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	12360.6 ± 0.8 Å³
Cell temperature	260 K
Ambient diffraction temperature	260 K
Number of distinct elements	6
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	0.0702
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
292863 (current)	2024-07-05	cif/ Updating files of 1571621, 1571622, 1571623, 1571624, 1571625, 1571626, 1571627, 1571628, 1571629, 1571630 Original log message: Adding full bibliography for 1571621--1571630.cif.	1571621.cif
291845	2024-05-15	cif/ Adding structures of 1571621, 1571622, 1571623, 1571624, 1571625, 1571626, 1571627, 1571628, 1571629, 1571630 via cif-deposit CGI script.	1571621.cif