Crystallography Open Database

Information card for entry 2020801

2020800 << 2020801 >> 2020802

Preview

Coordinates	2020801.cif
Structure factors	2020801.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[tetraaquamanganese(II)]-μ-2,2'-oxydiacetato-[dioxidouranium(VI)]-μ-2,2'-oxydiacetato] dihydrate]
Formula	C8 H20 Mn O18 U
Calculated formula	C8 H20 Mn O18 U
SMILES	[U]1234(=O)([O]=C(O[Mn]([OH2])([OH2])([OH2])(OC5=[O][U]678(=O)([O](C5)CC(=O)O6)(=O)OC(=O)C[O]7CC(=O)O8)[OH2])C[O]1CC(=O)O2)(=O)[O]=C(O[Mn]([OH2])([OH2])([OH2])[OH2])C[O]3CC(=O)O4.O.O.O.O
Title of publication	Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands
Authors of publication	Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L.
Journal of publication	Acta Crystallographica Section C Structural Chemistry
Year of publication	2017
Journal volume	73
Journal issue	8
a	6.997 ± 0.002 Å
b	7.185 ± 0.003 Å
c	11.043 ± 0.003 Å
α	106.356 ± 0.012°
β	93.891 ± 0.01°
γ	115.13 ± 0.016°
Cell volume	470.9 ± 0.3 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	0.0114
Residual factor for significantly intense reflections	0.0114
Weighted residual factors for significantly intense reflections	0.0282
Weighted residual factors for all reflections included in the refinement	0.0282
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
199090 (current)	2017-07-25	cif/ hkl/ Adding structures of 2020801, 2020802 via cif-deposit CGI script.	2020801.cif 2020801.hkl