Crystallography Open Database

Information card for entry 8107152

Preview

Coordinates	8107152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H51 Cl3 Co2 N16 O16
Calculated formula	C60 H51 Cl3 Co2 N16 O16
Title of publication	Crystal structure of [tris(2-benzimidazolylmethyl)amine-κ3 N](isonicotinate-κO) cobalt(II) [tris(2-benzimidazolylmethyl)amine-κ3 N](isonicotinic acid-κO) cobalt(II) triperchlorate, C60H51N16O16Cl3Co2
Authors of publication	Zhang, Ting-Ting; Li, Guan-Nan; Nie, Feng-Mei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	4
Pages of publication	1223 - 1227
a	35.652 ± 0.004 Å
b	14.1314 ± 0.0016 Å
c	25.141 ± 0.003 Å
α	90°
β	105.113 ± 0.002°
γ	90°
Cell volume	12228 ± 2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0905
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1501
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
283625 (current)	2023-05-09	cif/ Adding structures of 8107152 via cif-deposit CGI script.	8107152.cif