Crystallography Open Database

Information card for entry 7116848

Preview

Coordinates	7116848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H48 N8 O8 Zn2
Calculated formula	C68 H48 N8 O8 Zn2
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	23.8065 ± 0.0015 Å
b	16.6644 ± 0.0011 Å
c	42.744 ± 0.003 Å
α	90°
β	100.563 ± 0.002°
γ	90°
Cell volume	16670.1 ± 1.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1386
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for significantly intense reflections	0.1884
Weighted residual factors for all reflections included in the refinement	0.219
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180282 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/68.	7116848.cif
134265	2015-03-23	cif/ Adding structures of 7116839, 7116840, 7116841, 7116842, 7116843, 7116844, 7116845, 7116846, 7116847, 7116848, 7116849, 7116850, 7116851 via cif-deposit CGI script.	7116848.cif