Crystallography Open Database

Information card for entry 1565419

Preview

Coordinates	1565419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Fe N4 O3
Calculated formula	C20 H18 Fe N4 O3
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	21.858 ± 0.004 Å
b	7.8241 ± 0.0014 Å
c	10.398 ± 0.002 Å
α	90°
β	94.015 ± 0.007°
γ	90°
Cell volume	1773.9 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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