Crystallography Open Database

Information card for entry 7715610

Preview

Coordinates	7715610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H117 Cl4 Co2 N18 O27.5
Calculated formula	C101 H101 Cl4 Co2 N18 O27.5
Title of publication	Modulated spin dynamics of [Co<sub>2</sub>] coordination helicates <i>via</i> differential strand composition.
Authors of publication	Barrios, Leoní A; Capó, Nuria; Boulehjour, Hanae; Reta, Daniel; Tejedor, Inés; Roubeau, Olivier; Aromí, Guillem
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	17
Pages of publication	7611 - 7618
a	22.9697 ± 0.0011 Å
b	18.0372 ± 0.001 Å
c	27.1574 ± 0.0012 Å
α	90°
β	94.966 ± 0.002°
γ	90°
Cell volume	11209.3 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1324
Residual factor for significantly intense reflections	0.0935
Weighted residual factors for significantly intense reflections	0.2502
Weighted residual factors for all reflections included in the refinement	0.2801
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
291603 (current)	2024-05-05	cif/ Updating files of 7715609, 7715610 Original log message: Adding full bibliography for 7715609--7715610.cif.	7715610.cif
290760	2024-04-04	cif/ Adding structures of 7715609, 7715610 via cif-deposit CGI script.	7715610.cif