Crystallography Open Database

Information card for entry 1559886

Preview

Coordinates	1559886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H50 N6 Ni2 O8
Calculated formula	C48 H50 N6 Ni2 O8
SMILES	c12ccccc1C[NH]1c3ccccc3[NH]3[Ni]41([O]2[Ni]125([NH](Cc6c(cccc6)[O]42)c2ccccc2[NH]1Cc1ccccc1[OH]5)OC(=O)C)([OH]c1c(C3)cccc1)OC(=O)C.N#CC.N#CC
Title of publication	Multiweek Experiments for an Inorganic Chemistry Laboratory Course: Synthesis of Nickel Complexes Supported by a Tetradentate Ligand with a N2O2 Donor Set
Authors of publication	Collett, Joel D.; Krause, Jeanette A.; Guan, Hairong
Journal of publication	Journal of Chemical Education
Year of publication	2020
a	13.8061 ± 0.0005 Å
b	10.1122 ± 0.0004 Å
c	15.8955 ± 0.0006 Å
α	90°
β	91.4245 ± 0.0011°
γ	90°
Cell volume	2218.49 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
260274 (current)	2020-12-31	cif/ Adding structures of 1559886 via cif-deposit CGI script.	1559886.cif