Crystallography Open Database

Information card for entry 7113614

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Coordinates	7113614.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	A dizinc complex of tBu-salen
Formula	C48 H60 N4 O4 Zn2
Calculated formula	C48 H60 N4 O4 Zn2
SMILES	[Zn]123Oc4c(C=[N]2CC[N]2[Zn]5(Oc6c(C=2)cccc6C(C)(C)C)Oc2c(C=[N]5CC[N]3=Cc3c(O1)c(ccc3)C(C)(C)C)cccc2C(C)(C)C)cccc4C(C)(C)C
Title of publication	First helical zinc(II) complex with a salen ligand
Authors of publication	Mizukami, Shin; Houjou, Hirohiko; Nagawa, Yoshinobu; Kanesato, Masatoshi
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	10
Pages of publication	1148 - 1149
a	11.3432 ± 0.0003 Å
b	16.2924 ± 0.0003 Å
c	24.4065 ± 0.0006 Å
α	90°
β	90.9037 ± 0.0005°
γ	90°
Cell volume	4509.95 ± 0.18 Å³
Cell temperature	193.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Duplicate of	7103641
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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