Crystallography Open Database

Information card for entry 7713095

Preview

Coordinates	7713095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H37 B Cu F4 N4 O P
Calculated formula	C38 H33 B Cu F4 N4 O P
Title of publication	Heteroleptic copper(I) complexes [Cu(dmp)(N^P)]BF4 for photoinduced atom-transfer radical addition reactions
Authors of publication	Zhao, You-Hui; Li, Hai-Yan; Young, David James; Cao, Xiangqian; Zhu, Da-Liang; Ren, Zhi-Gang; Li, Hong-Xi
Journal of publication	Dalton Transactions
Year of publication	2023
a	9.5309 ± 0.0005 Å
b	12.5267 ± 0.0007 Å
c	16.7613 ± 0.0009 Å
α	77.384 ± 0.002°
β	74.714 ± 0.002°
γ	79.755 ± 0.002°
Cell volume	1868.3 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1749
Weighted residual factors for all reflections included in the refinement	0.1919
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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