Crystallography Open Database

Information card for entry 8105019

Preview

Coordinates	8105019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 N3 Ni O10
Calculated formula	C19 H15 N3 Ni O10
SMILES	[Ni]123([n]4c(c5cc(cc[n]15)C(=O)O)cc(cc4)C(=O)O)([n]1c(cccc1C(=O)O3)C(=O)O2)[OH2].O
Title of publication	Crystal structure of biaqua(2,2′-bipyridine-4,4′-dicarboxylato-κ2N,N′)(pyridine-2,6-dicarboxylato-κ3O,N,O′)nickel(II) hydrate, C19H15N3NiO10
Authors of publication	Jiang, Jin-Ke; Yang, Ying-Wen; Jiang, Hui
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	67 - 68
a	12.7175 ± 0.001 Å
b	10.678 ± 0.001 Å
c	15.0802 ± 0.0016 Å
α	90°
β	96.786 ± 0.009°
γ	90°
Cell volume	2033.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
274321 (current)	2022-04-04	cif/ Adding structures of 8105019 via cif-deposit CGI script.	8105019.cif