Crystallography Open Database

Information card for entry 7713421

Preview

Coordinates	7713421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H126 B2 Cl2 Dy2 N18 O2
Calculated formula	C132 H108 B2 Cl2 Dy2 N12 O2
SMILES	[Dy]123456(Cl)([O]7[Dy]89%10%11%12(Cl)([N]%13=Cc%14[n]%12c(C=[N]9[C@H]([C@@H]([N]%10=Cc9[n]%11c(ccc9)C=[N]8[C@H]([C@@H]%13c8ccccc8)c8ccccc8)c8ccccc8)c8ccccc8)ccc%14)[O]27)[N]2=Cc7[n]6c(C=[N]1[C@@H](c1ccccc1)[C@@H]([N]5=Cc1[n]3c(C=[N]4[C@@H](c3ccccc3)[C@@H]2c2ccccc2)ccc1)c1ccccc1)ccc7.c1(ccccc1)[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	15.7298 ± 0.0003 Å
b	16.3326 ± 0.0004 Å
c	47.7251 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	12261 ± 0.5 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	7
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	0.0731
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	7713421.cif