Crystallography Open Database

Information card for entry 8105781

Preview

Coordinates	8105781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 N3 O6 Zn
Calculated formula	C12 H12 N3 O6 Zn
Title of publication	Crystal structure of catena-poly[diaqua-(μ2-1,2-bis(4-pyridinyl)ethyane-κ2 N:N′)-(μ2–pyridazine-4,5-dicarboxylato-κ2 O:O′)]dizinc(II) dihydrate, C12H12ZnN3O6
Authors of publication	Feng-Yang, Ju; Ke-Xin, Ding; Fang, Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	3
Pages of publication	567 - 569
a	17.6153 ± 0.0006 Å
b	6.6922 ± 0.0002 Å
c	24.133 ± 0.0009 Å
α	90°
β	107.899 ± 0.004°
γ	90°
Cell volume	2707.23 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0319
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
277916 (current)	2022-09-16	cif/ Adding structures of 8105781 via cif-deposit CGI script.	8105781.cif