Crystallography Open Database

Information card for entry 7045921

Preview

Coordinates	7045921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H46 Cu2 N22 O12 S2
Calculated formula	C50 H46 Cu2 N22 O12 S2
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	10.431 ± 0.003 Å
b	13.604 ± 0.004 Å
c	14.523 ± 0.004 Å
α	113.317 ± 0.007°
β	97.646 ± 0.008°
γ	97.79 ± 0.008°
Cell volume	1835.2 ± 0.9 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	0.0731
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	0.803
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
229627 (current)	2019-11-17	cif/ Updating files of 7045918, 7045919, 7045920, 7045921, 7045922, 7045923 Original log message: Adding full bibliography for 7045918--7045923.cif.	7045921.cif
207105	2018-03-25	cif/ Adding structures of 7045918, 7045919, 7045920, 7045921, 7045922, 7045923 via cif-deposit CGI script.	7045921.cif