Crystallography Open Database

Information card for entry 4000441

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Coordinates	4000441.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(11a) Zn(DIP)2(MeIm)2
Formula	C76 H110 N8 O5 Zn2
Calculated formula	C76 H110 N8 O5 Zn2
SMILES	CC(c1cccc(c1O)C(C)C)C.Cn1cc[n](c1)[Zn]([n]1ccn(c1)C)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C.Cn1cc[n](c1)[Zn]([n]1ccn(c1)C)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C
Journal of publication	Chemistry of Materials
Year of publication	2004
a	19.631 ± 0.003 Å
b	19.768 ± 0.003 Å
c	21.383 ± 0.004 Å
α	91.914 ± 0.003°
β	93.064 ± 0.003°
γ	114.479 ± 0.003°
Cell volume	7527 ± 2 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 2 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	0.0579
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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