Crystallography Open Database

Information card for entry 7116851

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Structure parameters

Formula	C136 H96 N16 O16 Zn4
Calculated formula	C136 H96 N16 O16 Zn4
SMILES	c1ccc2C(=c3ccc4[n]3[Zn]3(n12)n1cccc1C(=c1[n]3c(cc1)c1n2c(C(=c3[n](ccc3)[Zn]32[n]2cccc2=C(c2ccc(c5ccc6C(=c7ccc[n]7[Zn]7(n56)n5cccc5C(=c5[n]7c(cc5)c5n6c(C(=c7[n](ccc7)[Zn]76n6cccc6C(=c6ccc4[n]76)c4ccc(cc4)C(=O)OC)c4ccc(cc4)C(=O)OC)cc5)c4ccc(cc4)C(=O)OC)c4ccc(cc4)C(=O)OC)n32)c2ccc(cc2)C(=O)OC)c2ccc(cc2)C(=O)OC)cc1)c1ccc(cc1)C(=O)OC)c1ccc(cc1)C(=O)OC
Title of publication	On Zn(II) 2,2'-bisdipyrrin circular helicates
Authors of publication	Stephane A. Baudron; Herve Ruffin; Mir Wais Hosseini
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	5906
a	15.337 ± 0.0006 Å
b	19.7279 ± 0.0014 Å
c	23.6518 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	7156.2 ± 0.7 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	5
Space group number	23
Hermann-Mauguin space group symbol	I 2 2 2
Hall space group symbol	I 2 2
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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