Crystallography Open Database

Information card for entry 7713923

Preview

Coordinates	7713923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H116 La6 Mn O40
Calculated formula	C68 H116 La6 Mn O40
SMILES	[La]123456([O]7[La]89%10([O]%11[La]%12%13([O]1[Mn]1%147%11[O]7[La]%11%15%16%17([O]1[La]1%18%19([OH]C)([O]%11[La]%11%207([OH]C)([O]%141)([OH]C)(OC(=CC(=[O]%11)C)C)[O]=C(C=C([O]%16%20)C)C)([OH]C)([O]=C(C)C=C(O%19)C)[O]=C(C)C=C(O%18)C)([O]=C(C)C=C(O%17)C)[O]=C(C)C=C(O%15)C)([O]28)([OH]C)([OH]C)([O]6C(C)=CC(=[O]%13)C)OC(=CC(=[O]%12)C)C)([OH]C)([O]=C(C)C=C(O%10)C)([O]4C(C)=CC(=[O]5)C)OC(=CC(=[O]9)C)C)([OH]C)[O]=C(C)C=C(O3)C
Title of publication	Doping Transition Metals to Modulate the Chirality and Photocatalytic Activity of Rare Earth Clusters
Authors of publication	Lu, Ying; Yang, Wen-Zhu; Ding, Xiu-Xia; Nie, Si-Qi; Jiang, Zhan-Guo; Zhan, Cai-Hong
Journal of publication	Dalton Transactions
Year of publication	2023
a	14.8299 ± 0.0012 Å
b	16.978 ± 0.0013 Å
c	20.0319 ± 0.0016 Å
α	83.811 ± 0.003°
β	85.464 ± 0.003°
γ	88.201 ± 0.003°
Cell volume	4997.2 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
286296 (current)	2023-09-10	cif/ Adding structures of 7713920, 7713921, 7713922, 7713923 via cif-deposit CGI script.	7713923.cif