Crystallography Open Database

Information card for entry 8107523

Preview

Coordinates	8107523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Co N6 O7
Calculated formula	C26 H22 Co N6 O7
Title of publication	Crystal structure of catena-poly[(μ2-isophthalato-k3 O,O′:O″)(4-(4-pyridyl)-2,5-dipyrazylpyridine-k3 N,N′,N″)cobalt(II)] trihydrate C26H22N6O7Co1
Authors of publication	He, Chao-Jun; Wang, Zhou-Qin; Wang, Yu-Fang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	4
Pages of publication	659 - 661
a	9.0033 ± 0.0004 Å
b	10.1338 ± 0.0005 Å
c	15.5122 ± 0.0008 Å
α	96.164 ± 0.004°
β	100.835 ± 0.004°
γ	113.867 ± 0.005°
Cell volume	1244.4 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0643
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
286412 (current)	2023-09-19	cif/ Adding structures of 8107523 via cif-deposit CGI script.	8107523.cif