Crystallography Open Database

Information card for entry 7712498

Preview

Coordinates	7712498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81.76 H71.53 Cl3.53 Fe N10 O11
Calculated formula	C80.764 H67.528 Cl3.528 Fe N10 O10
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	12.9914 ± 0.0006 Å
b	17.0329 ± 0.0008 Å
c	18.9494 ± 0.0008 Å
α	63.776 ± 0.001°
β	84.27 ± 0.002°
γ	86.755 ± 0.002°
Cell volume	3742.4 ± 0.3 Å³
Cell temperature	120.97 K
Ambient diffraction temperature	120.97 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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