Crystallography Open Database

Information card for entry 7132880

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Coordinates	7132880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H43 Au Br Cl18 Fe N6 O
Calculated formula	C48 H32 Au Br Fe N6
Title of publication	Cyanometallic charge engineering in spin crossover metal-organic frameworks.
Authors of publication	Lyu, Bang-Heng; Xie, Kai-Ping; Cui, Wen; Chen, Yan-Cong; Chen, Guan-Xi; Wu, Si-Guo; Tong, Ming-Liang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	32
Pages of publication	4318 - 4321
a	10.4824 ± 0.0005 Å
b	14.6177 ± 0.0009 Å
c	17.0399 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2611 ± 0.2 Å³
Cell temperature	255 K
Ambient diffraction temperature	255 K
Number of distinct elements	8
Space group number	47
Hermann-Mauguin space group symbol	P m m m
Hall space group symbol	-P 2 2
Residual factor for all reflections	0.1056
Residual factor for significantly intense reflections	0.0969
Weighted residual factors for significantly intense reflections	0.2638
Weighted residual factors for all reflections included in the refinement	0.2721
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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
291522 (current)	2024-05-05	cif/ Updating files of 7132879, 7132880, 7132881, 7132882, 7132883 Original log message: Adding full bibliography for 7132879--7132883.cif.	7132880.cif
290585	2024-03-22	cif/ Adding structures of 7132879, 7132880, 7132881, 7132882, 7132883 via cif-deposit CGI script.	7132880.cif