Crystallography Open Database

Information card for entry 7235089

Preview

Coordinates	7235089.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(mu-adenine-1kN3:3kN9)(mu-adenine-2kN3:3kN9)bis(mu-chlorido-1kCl:3kCl)bis(mu-chlorido-2kCl:3kCl)di(chlorido-1kCl,2kCl)tetra(aqua-1k2O,2k2O)tricobalt(II)dihydrate
Formula	C10 H22 Cl6 Co3 N10 O6
Calculated formula	C10 H22 Cl6 Co3 N10 O6
Title of publication	Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities
Authors of publication	Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	18
Pages of publication	2528
a	7.203 ± 0.002 Å
b	9.52 ± 0.003 Å
c	9.659 ± 0.004 Å
α	82.49 ± 0.02°
β	69.47 ± 0.02°
γ	77.59 ± 0.04°
Cell volume	604.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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
227793 (current)	2019-11-14	cif/ Adding structures of 7235085, 7235086, 7235087, 7235088, 7235089, 7235090 via cif-deposit CGI script.	7235089.cif