Crystallography Open Database

Information card for entry 4109142

Preview

Coordinates	4109142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H58.5 N6 Ni2 O2.25
Calculated formula	C46 H58.25 N6 Ni2 O2.25
Title of publication	Design, Synthesis, and Characterization of Binuclear Ni(II) Complexes with Inherent Helical Chirality
Authors of publication	Vadim A. Soloshonok; Hisanori Ueki
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	2426 - 2427
a	9.7788 ± 0.0016 Å
b	14.374 ± 0.002 Å
c	15.608 ± 0.002 Å
α	89.393 ± 0.005°
β	74.856 ± 0.005°
γ	80.224 ± 0.005°
Cell volume	2085.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4109142.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109142.cif
57896	2012-05-23	cif/ Adding structures of 4109142 via cif-deposit CGI script.	4109142.cif