Crystallography Open Database

Information card for entry 7059163

Preview

Coordinates	7059163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138 H186 Dy10 N50 Na2 O82
Calculated formula	C138 H172 Dy10 N50 Na2 O82
SMILES	C12c3ccc4C5=N[N]6=Cc7c(c(ccc7)OC)O[Dy]789%10%116(N(=[O]7)(=O)O8)[O]5[Dy]5678%12([n]4[n]3[Dy]34%13%14%15([O]2[Dy]2%16%17%18%19%20([N](=Cc%21c%22c(ccc%21)[O](C)[Dy]%21%23%24%25([O]2%22)([N](=Cc2c%22c(ccc2)[O](C)[Na]2([O]%24=N%24[O]%26[Dy]%27%28%29%30([N]%31=Cc%32c%33c(ccc%32)[O](C)[Dy]%32%34%35([O]%28%33)([O]=N(O%35)=O)([N](=Cc%28c(c(ccc%28)OC)O%34)N=C(c%28ccc%33C%34=N[N]%35=Cc%36c%37c(ccc%36)[O]([Dy]%36%38%39%40%41([N](=Cc%42c%43c(ccc%42)[O](C)[Na]([O]%39=N([O]53)=[O]6)([O]%40%43)([O]=N(=O)O9)[O]=CN(C)C)N=C3c5ccc6C(=N%31)[O]%27[Dy]9%27%26([n]6[n]5[Dy]%35([O]4%36)([O]%383)([O]%169)([O]%34%27)([O]%37%41)([O]%15%20)[O]=CN(C)C)([n]%33[n]%29%28)([O]%18%21)[O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C)C)[O]%30%32)ON(=[O]2)=O)([O]=CN(C)C)([O]=CN(C)C)[O]=%24)([O]%25%22)[O]=CN(C)[C])N=C(c2ccc(C(=N[N]7=Cc3c(c(ccc3)[O]%11C)[O]%10%12)[O]8%14)[n]%13[n]%172)[O]%19%23)([O]=CN(C)[C])[O]=CN(C)C)N=1)[O]=CN(C)C)[O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.CCOCC.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.CCOCC.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O
Title of publication	Dysprosium-based linear helicate clusters: syntheses, structures, and magnetism
Authors of publication	Lu, Jingjing; Li, Xiao-Lei; Jin, Chaoyi; Yu, Yang; Tang, Jinkui
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	3
Pages of publication	994 - 1000
a	16.2426 ± 0.0018 Å
b	16.2562 ± 0.0017 Å
c	22.592 ± 0.002 Å
α	95.755 ± 0.002°
β	101.601 ± 0.002°
γ	113.605 ± 0.002°
Cell volume	5244.7 ± 0.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0949
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.2005
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
257901 (current)	2020-10-06	cif/ Updating files of 7059162, 7059163, 7059164 Original log message: Adding full bibliography for 7059162--7059164.cif.	7059163.cif
247793	2020-02-04	cif/ Updating files of 7059162, 7059163, 7059164 Original log message: Adding full bibliography for 7059162--7059164.cif.	7059163.cif
245039	2019-12-13	cif/ Adding structures of 7059162, 7059163, 7059164 via cif-deposit CGI script.	7059163.cif