Crystallography Open Database

Information card for entry 1565421

Preview

Coordinates	1565421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H34 Cl2 Fe2 N6 O4
Calculated formula	C37 H34 Cl2 Fe2 N6 O4
Title of publication	Novel ferrocene-based 1,2,3-triazolyl compounds: Synthesis, anti-migration properties and catalytic effects on oxidizers during combustion
Authors of publication	Cheng, Wenqian; Shi, Xiaoling; Zhang, Yu; Jian, Yajun; Zhang, Guofang
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	502
Pages of publication	119374
a	12.137 ± 0.003 Å
b	12.766 ± 0.002 Å
c	13.384 ± 0.003 Å
α	98.257 ± 0.007°
β	114.876 ± 0.007°
γ	104.537 ± 0.007°
Cell volume	1746.2 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.0606
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1512
Weighted residual factors for all reflections included in the refinement	0.156
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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