Crystallography Open Database

Information card for entry 2012756

2012755 << 2012756 >> 2012757

Preview

Coordinates	2012756.cif
Structure factors	2012756.hkl
Original IUCr paper	HTML

Structure parameters

Formula	C120 H140 N4 O32 Zn
Calculated formula	C120 H140 N4 O32 Zn
SMILES	n12c3=C(c4[n]5c(=C(c6n7c(=C(c8[n](c(=C(c1cc3)c1ccc(cc1)O)cc8)[Zn]257)c1ccc(cc1)O)cc6)c1ccc(cc1)O)cc4)c1ccc(cc1)O.OC.O1c2ccccc2OCCOCCOCCOc2ccccc2OCCOCCOCC1.O1c2ccccc2OCCOCCOCCOc2ccccc2OCCOCCOCC1.O1c2ccccc2OCCOCCOCCOc2ccccc2OCCOCCOCC1.OC.OC.OC
Title of publication	Hydrogen-bonded supramolecular lattice of the 1:3:4 complex between [5,10,15,20-<i>meso</i>-tetrakis(4-hydroxyphenyl)porphyrinato-κ^4^<i>N</i>]zinc(II), dibenzo-24-crown-8 and methanol
Authors of publication	Yael Diskin-Posner; Goutam Kumar Patra; Israel Goldberg
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	6
Pages of publication	m344 - m346
a	10.2643 ± 0.0003 Å
b	13.4878 ± 0.0004 Å
c	21.1227 ± 0.0008 Å
α	86.2858 ± 0.001°
β	77.9955 ± 0.0013°
γ	73.932 ± 0.003°
Cell volume	2748.51 ± 0.16 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1547
Weighted residual factors for all reflections included in the refinement	0.1673
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.