Crystallography Open Database

Information card for entry 7037104

Preview

Coordinates	7037104.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis{(S)-N-phenylethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}nickel(II)
Formula	C38 H32 N2 Ni O2
Calculated formula	C38 H32 N2 Ni O2
SMILES	[Ni]12(Oc3c(c4ccccc4cc3)C=[N]1[C@H](c1ccccc1)C)[N](=Cc1c(O2)ccc2ccccc12)[C@@H](C)c1ccccc1
Title of publication	Chirality at metal and helical ligand folding in optical isomers of chiral bis(naphthaldiminato)nickel(ii) complexes.
Authors of publication	Enamullah, Mohammed; Quddus, Mohammad Abdul; Hasan, Mohammad Rezabul; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Janiak, Christoph
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	2
Pages of publication	667 - 680
a	9.5328 ± 0.0009 Å
b	15.297 ± 0.0016 Å
c	20.56 ± 0.002 Å
α	90°
β	90.192 ± 0.006°
γ	90°
Cell volume	2998.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0438
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
175991 (current)	2016-02-05	cif/ Updating files of 7037103, 7037104 Original log message: Adding full bibliography for 7037103--7037104.cif.	7037104.cif
170193	2015-11-07	cif/ Adding structures of 7037103, 7037104 via cif-deposit CGI script.	7037104.cif