Crystallography Open Database

Information card for entry 7046174

Preview

Coordinates	7046174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H48 Cu2 Fe4 I2 Te4
Calculated formula	C46 H48 Cu2 Fe4 I2 Te4
Title of publication	A PEG/copper(i) halide cluster as an eco-friendly catalytic system for C-N bond formation.
Authors of publication	Li, Cheng-An; Ji, Wei; Qu, Jian; Jing, Su; Gao, Fei; Zhu, Dun-Ru
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	22
Pages of publication	7463 - 7470
a	10.578 ± 0.0009 Å
b	11.4374 ± 0.001 Å
c	11.7238 ± 0.0011 Å
α	100.572 ± 0.003°
β	107.192 ± 0.002°
γ	110.62 ± 0.002°
Cell volume	1200.84 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0286
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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