Crystallography Open Database

Information card for entry 7712499

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Coordinates	7712499.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-275
Formula	C81.66 H71.32 B2 Cl1.32 F8 Fe N10 O3
Calculated formula	C80.661 H67.322 B2 Cl1.322 F8 Fe N10 O2
Title of publication	Constructing Spin Crossover-Fluorescence Bifunctional Iron(II) complexes based on Tetraphenyl Ethylene-Decorated AIEgen
Authors of publication	Yi, Cheng; Zhang, Shi-Hui; Zhao, Liang; Yao, Nian-Tao; Zhao, Guo-Hui; Meng, Yin-Shan; Liu, Tao
Journal of publication	Dalton Transactions
Year of publication	2023
a	13.064 ± 0.004 Å
b	17.158 ± 0.006 Å
c	19.208 ± 0.006 Å
α	63.673 ± 0.01°
β	84.103 ± 0.012°
γ	86.368 ± 0.012°
Cell volume	3838 ± 2 Å³
Cell temperature	275.03 K
Ambient diffraction temperature	275.03 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1057
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1729
Weighted residual factors for all reflections included in the refinement	0.1986
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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