Crystallography Open Database

Information card for entry 7713423

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Coordinates	7713423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C180 H154.5 B2 Dy2 N17.5 O5
Calculated formula	C168 H134 B2 Dy2 N12 O4
SMILES	[Dy]123456(Oc7c(cccc7c7ccccc7)c7ccccc7)([n]7c8cccc7C=[N]4[C@@H]([C@H]([N]6=Cc4[n]2c(C=[N]5[C@H](c2ccccc2)[C@H]([N]1=C8)c1ccccc1)ccc4)c1ccccc1)c1ccccc1)[O]1[Dy]24567(Oc8c(cccc8c8ccccc8)c8ccccc8)([n]8c9C=[N]4[C@@H]([C@H]([N]6=Cc4[n]5c(ccc4)C=[N]7[C@@H]([C@H]([N]2=Cc8ccc9)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)[O]31.c1c(cccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1cc(ccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Peroxido-bridged chiral double-decker dysprosium macrocycles
Authors of publication	Zhao, Chen; Wang, Tingting; Liu, Xiaodong; Zhu, Zhenhua; Ying, Xu; Li, Xiao-Lei; Tang, Jinkui
Journal of publication	Dalton Transactions
Year of publication	2023
a	29.7543 ± 0.0012 Å
b	17.3502 ± 0.0007 Å
c	62.722 ± 0.002 Å
α	90°
β	103.169 ± 0.001°
γ	90°
Cell volume	31528 ± 2 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.2285
Residual factor for significantly intense reflections	0.1029
Weighted residual factors for significantly intense reflections	0.2485
Weighted residual factors for all reflections included in the refinement	0.3448
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
285128 (current)	2023-07-11	cif/ Adding structures of 7713420, 7713421, 7713422, 7713423 via cif-deposit CGI script.	7713423.cif