Crystallography Open Database

Information card for entry 7700294

Preview

Coordinates	7700294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H41 N3 Ni O4
Calculated formula	C35 H41 N3 Ni O4
Title of publication	The effect of π-π stacking interaction of the indole ring with the coordinated phenoxyl radical in a nickel(ii)-salen type complex. Comparison with the corresponding Cu(ii) complex.
Authors of publication	Oshita, Hiromi; Suzuki, Takashi; Kawashima, Kyohei; Abe, Hitoshi; Tani, Fumito; Mori, Seiji; Yajima, Tatsuo; Shimazaki, Yuichi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	32
Pages of publication	12060 - 12069
a	11.9551 ± 0.0015 Å
b	6.9902 ± 0.0007 Å
c	19.284 ± 0.002 Å
α	90°
β	108.879 ± 0.003°
γ	90°
Cell volume	1524.8 ± 0.3 Å³
Cell temperature	133 K
Ambient diffraction temperature	133 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1349
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.169
Weighted residual factors for all reflections included in the refinement	0.2136
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223918 (current)	2019-11-07	cif/ Updating files of 7700294, 7700295 Original log message: Adding full bibliography for 7700294--7700295.cif.	7700294.cif
216123	2019-06-20	cif/ Adding structures of 7700294, 7700295 via cif-deposit CGI script.	7700294.cif