Crystallography Open Database

Information card for entry 7046178

Preview

Coordinates	7046178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 Br Cu Fe2 Te2
Calculated formula	C28 H26 Br Cu Fe2 Te2
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	12.365 ± 0.0006 Å
b	10.82 ± 0.0005 Å
c	20.1765 ± 0.0009 Å
α	90°
β	90.388 ± 0.001°
γ	90°
Cell volume	2699.3 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229262 (current)	2019-11-17	cif/ Updating files of 7046173, 7046174, 7046175, 7046176, 7046177, 7046178, 7046179 Original log message: Adding full bibliography for 7046173--7046179.cif.	7046178.cif
207521	2018-04-30	cif/ Adding structures of 7046173, 7046174, 7046175, 7046176, 7046177, 7046178, 7046179 via cif-deposit CGI script.	7046178.cif