Crystallography Open Database

Information card for entry 7030402

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Structure parameters

Formula	C67 H63 Co N2 O10 Y
Calculated formula	C67 H63 Co N2 O10 Y
SMILES	[Y]12345([O]6[Co]789([O]1c1c(cc(cc1[O]3C)C)C[N]9(CC[N]7(C)Cc1c6c([O]2C)cc(c1)C)C)[O]=C(c1ccccc1)C=C(O8)c1ccccc1)(OC(=CC(=[O]5)c1ccccc1)c1ccccc1)[O]=C(c1ccccc1)C=C(O4)c1ccccc1
Title of publication	Heterodinuclear M(II)-Ln(III) single molecule magnets constructed from exchange-coupled single ion magnets.
Authors of publication	Xie, Qi-Wei; Wu, Shu-Qi; Shi, Wen-Bo; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	29
Pages of publication	11309 - 11316
a	11.2773 ± 0.0013 Å
b	11.4817 ± 0.0011 Å
c	23.93 ± 0.003 Å
α	102.194 ± 0.006°
β	92.759 ± 0.005°
γ	107.234 ± 0.005°
Cell volume	2872.2 ± 0.6 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	0.063
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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