Crystallography Open Database

Information card for entry 1515318

Preview

Coordinates	1515318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H34 Cl2 N4 O4 Zn
Calculated formula	C35 H34 Cl2 N4 O4 Zn
Title of publication	Water coordinated zinc dioxo-chlorin and porphyrin self-assemblies as chlorosomal mimics: variability of supramolecular interactions.
Authors of publication	Jesorka, Aldo; Holzwarth, Alfred R.; Eichhöfer, Andreas; Reddy, Chilla Malla; Kinoshita, Yusuke; Tamiaki, Hitoshi; Katterle, Martin; Naubron, Jean-Valère; Balaban, Teodor Silviu
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2012
Journal volume	11
Journal issue	6
Pages of publication	1069 - 1080
a	9.569 ± 0.0019 Å
b	17.605 ± 0.004 Å
c	10.472 ± 0.002 Å
α	90°
β	114.97 ± 0.03°
γ	90°
Cell volume	1599.2 ± 0.7 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0283
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515318.cif
111124	2014-04-20	cif/ Adding structures of 1515318, 1515319 via cif-deposit CGI script.	1515318.cif