Crystallography Open Database

Information card for entry 4107323

Preview

Coordinates	4107323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H119.5 Cl2 N12.5 O34 Zn
Calculated formula	C73 H95.5 Cl2 N12.5 O34 Zn
Title of publication	Time-Programmed Peptide Helix Inversion of a Synthetic Metal Complex Triggered by an Achiral NO3- Anion
Authors of publication	Hiroyuki Miyake; Hiroshi Kamon; Ikuko Miyahara; Hideki Sugimoto; Hiroshi Tsukube
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	792 - 793
a	15.19 ± 0.003 Å
b	16.496 ± 0.003 Å
c	43.489 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	10897 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.192
Residual factor for significantly intense reflections	0.1634
Weighted residual factors for significantly intense reflections	0.3946
Weighted residual factors for all reflections included in the refinement	0.4169
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4107323.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107323.cif
54988	2012-05-02	cif/ Adding structures of 4107323 via cif-deposit CGI script.	4107323.cif