Crystallography Open Database

Information card for entry 7057190

Preview

Coordinates	7057190.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	5
Formula	C56 H46 Cu4 I4 N6 O2
Calculated formula	C56 H46 Cu4 I4 N6 O2
Title of publication	Substituent regulated photoluminescent thermochromism in a rare type of octahedral Cu4I4 clusters
Authors of publication	Yu, Ya-Dong; Meng, Ling-Bin; Chen, Qiu-Cheng; Chen, Guang-Hui; Huang, Xiao-Chun
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	11
Pages of publication	8426
a	8.525 ± 0.0004 Å
b	9.6093 ± 0.0004 Å
c	17.1221 ± 0.0007 Å
α	98.411 ± 0.003°
β	92.127 ± 0.004°
γ	99.493 ± 0.003°
Cell volume	1365.84 ± 0.1 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	0.0647
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1349
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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