Crystallography Open Database

Information card for entry 7045919

Preview

Coordinates	7045919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H46 Cl4 Cu2 N20 O4
Calculated formula	C52 H46 Cl4 Cu2 N20 O4
Title of publication	Anion-dependent thermo-responsive supramolecular superstructures of Cu(ii) macrocycles.
Authors of publication	Naskar, Sourenjit; Jana, Barun; Ghosh, Pradyut
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	16
Pages of publication	5734 - 5742
a	10.18 ± 0.004 Å
b	13.691 ± 0.004 Å
c	13.928 ± 0.004 Å
α	110.571 ± 0.006°
β	96.276 ± 0.006°
γ	99.532 ± 0.006°
Cell volume	1762.6 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0782
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1556
Goodness-of-fit parameter for all reflections included in the refinement	0.857
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7045919.html