Crystallography Open Database

Information card for entry 7061327

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Coordinates	7061327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H32 Br Cu N2 P2
Calculated formula	C43 H32 Br Cu N2 P2
Title of publication	Structural characterization and luminescence properties of trigonal Cu(i) iodine/bromine complexes comprising cation–π interactions
Authors of publication	Yin, Xiaolin; Liu, Chunmei; Liu, Shuang; Cao, Mengmeng; Rawson, Jeremy M.; Xu, Yan; Zhang, Bin
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	13
Pages of publication	6185 - 6192
a	10.6373 ± 0.0018 Å
b	17.157 ± 0.003 Å
c	19.959 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3642.6 ± 1 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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