Crystallography Open Database

Information card for entry 8105036

Preview

Coordinates	8105036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Co N5 O10.5
Calculated formula	C20 H22 Co N5 O10.5
Title of publication	Crystal structure of catena-poly[triaqua-(1,3-di(1H-imidazol-1-yl)benzene-κ2N:N′)-(3-nitrophthalato-κ1O)cobalt(II)] — water (2/3), C20H22N5O10.5Co
Authors of publication	Yin, Wei-Dong; Liu, Qian-Long; Li, Gui-Lian
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	125 - 128
a	7.9667 ± 0.0003 Å
b	11.5847 ± 0.0004 Å
c	13.5305 ± 0.0005 Å
α	81.096 ± 0.003°
β	83.11 ± 0.003°
γ	69.997 ± 0.004°
Cell volume	1156.26 ± 0.08 Å³
Cell temperature	292.73 ± 0.13 K
Ambient diffraction temperature	292.73 ± 0.13 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	0.0523
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
274348 (current)	2022-04-05	cif/ Adding structures of 8105036 via cif-deposit CGI script.	8105036.cif