Crystallography Open Database

Information card for entry 8107298

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Coordinates	8107298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 N4 Ni O5
Calculated formula	C34 H26 N4 Ni O5
SMILES	[Ni]123(OC(=O)c4[n]1c(ccc4)c1ccccc1)(OC(=O)c1[n]2c(ccc1)c1ccccc1)[n]1c(c2[n]3cccc2)cccc1.O
Title of publication	The crystal structure of [(2,2′-bipyridine-κ2 N,N)-bis(6-phenylpyridine-2-carboxylato- κ2 N,O)nickel(II)] monohydrate, C34H26N4O5Ni
Authors of publication	Tingting, Zhou; Zhen, Cao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	6
Pages of publication	1079 - 1081
a	29.3459 ± 0.0013 Å
b	10.2867 ± 0.0004 Å
c	19.878 ± 0.0009 Å
α	90°
β	107.243 ± 0.005°
γ	90°
Cell volume	5730.9 ± 0.5 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
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
284154 (current)	2023-06-02	cif/ Adding structures of 8107298 via cif-deposit CGI script.	8107298.cif