Crystallography Open Database

Information card for entry 4107324

Preview

Coordinates	4107324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H102 Cl15 N15 O20 Zn
Calculated formula	C79 H102 Cl15 N15 O20 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	15.6682 ± 0.0008 Å
b	15.6682 ± 0.0008 Å
c	37.154 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	7899 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.1217
Residual factor for significantly intense reflections	0.118
Weighted residual factors for significantly intense reflections	0.3496
Weighted residual factors for all reflections included in the refinement	0.3531
Goodness-of-fit parameter for all reflections included in the refinement	1.66
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
178819 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/73.	4107324.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107324.cif
54989	2012-05-02	cif/ Adding structures of 4107324 via cif-deposit CGI script.	4107324.cif