Crystallography Open Database

Information card for entry 7132882

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Coordinates	7132882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H118 Fe2 N16 O15
Calculated formula	C51 H32 Fe2 N10 O
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	19.818 ± 0.002 Å
b	29.05 ± 0.003 Å
c	16.4847 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	9490.5 ± 1.7 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	65
Hermann-Mauguin space group symbol	C m m m
Hall space group symbol	-C 2 2
Residual factor for all reflections	0.1093
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.2378
Weighted residual factors for all reflections included in the refinement	0.2545
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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.	7132882.cif
290585	2024-03-22	cif/ Adding structures of 7132879, 7132880, 7132881, 7132882, 7132883 via cif-deposit CGI script.	7132882.cif