Crystallography Open Database

Information card for entry 8106377

Preview

Coordinates	8106377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 Co N12 O8.5
Calculated formula	C22 H23 Co N12 O8.5
Title of publication	Crystal structure of catena-poly[diaqua-bis(μ2-3,5-di(1H-1,2,4-triazol-1-yl)benzoate-κ2 N:N′)cobalt(II))] 2.5 hydrate, C22H23CoN12O8.50
Authors of publication	Lan, Hong-Hong
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	6
Pages of publication	1003 - 1004
a	9.6549 ± 0.0003 Å
b	10.6027 ± 0.0004 Å
c	13.4938 ± 0.0004 Å
α	100.824 ± 0.003°
β	99.707 ± 0.003°
γ	96.642 ± 0.003°
Cell volume	1321.76 ± 0.08 Å³
Cell temperature	288.03 ± 0.1 K
Ambient diffraction temperature	288.03 ± 0.1 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	0.0427
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
279852 (current)	2022-12-13	cif/ Adding structures of 8106377 via cif-deposit CGI script.	8106377.cif