Crystallography Open Database

Information card for entry 8105318

Preview

Coordinates	8105318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 Cl12 N4 Ni2 O18
Calculated formula	C28 H24 Cl12 N4 Ni2 O18
Title of publication	Crystal structure of tetraaqua-bis(2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-κO)-nickel(II)—diaqua-bis(2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-nickel(II), C28H24Cl12N4Ni2O18
Authors of publication	Du, Zhong-Xiang; Li, Jun-Xia
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	4
Pages of publication	881 - 883
a	37.804 ± 0.0012 Å
b	6.086 ± 0.0002 Å
c	19.3025 ± 0.0006 Å
α	90°
β	98.104 ± 0.003°
γ	90°
Cell volume	4396.7 ± 0.2 Å³
Cell temperature	291.8 ± 0.2 K
Ambient diffraction temperature	291.8 ± 0.2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0856
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
275574 (current)	2022-05-20	cif/ Adding structures of 8105318 via cif-deposit CGI script.	8105318.cif