Crystallography Open Database

Information card for entry 7713420

Preview

Coordinates	7713420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C183 H159 B2 Dy2 N19 O5
Calculated formula	C172 H140 B2 Dy2 N14 O4
SMILES	[Dy]123456(Oc7c(c8ccccc8)cccc7c7ccccc7)([O]7[Dy]89%10%11%12(Oc%13c(c%14ccccc%14)cccc%13c%13ccccc%13)([n]%13c%14cccc%13C=[N]%12[C@@H](c%12ccccc%12)[C@@H]([N]9=Cc9cccc([n]%119)C=[N]8[C@H]([C@@H]([N]%10=C%14)c8ccccc8)c8ccccc8)c8ccccc8)[O]27)[n]2c7cccc2C=[N]5[C@H]([C@@H]([N]3=Cc2[n]1c(C=[N]4[C@@H](c1ccccc1)[C@@H]([N]6=C7)c1ccccc1)ccc2)c1ccccc1)c1ccccc1.c1ccccc1[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1cc(ccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C(#N)C.N#CC
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	29.7238 ± 0.001 Å
b	17.4037 ± 0.0006 Å
c	62.791 ± 0.002 Å
α	90°
β	103.217 ± 0.001°
γ	90°
Cell volume	31621.6 ± 1.8 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	0.0569
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	7713420.cif