Crystallography Open Database

Information card for entry 4334456

Preview

Coordinates	4334456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H66 N8 Ni2 O16
Calculated formula	C57 H60 N8 Ni2 O16
Title of publication	l-Tyrosinatonickel(II) Complex: Synthesis and Structural, Spectroscopic, Magnetic, and Biological Properties of 2{[Ni(l-Tyr)2(bpy)]}.3H2O.CH3OH
Authors of publication	Agnieszka Wojciechowska; Anna Gągor; Marek Duczmal; Zbigniew Staszak; Andrzej Ozarowski
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4360 - 4371
a	12.8116 ± 0.0018 Å
b	12.8116 ± 0.0018 Å
c	30.035 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	4269.4 ± 1.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4334456.html