Crystallography Open Database

Information card for entry 7057313

Preview

Coordinates	7057313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H76 Cu2 F12 N6 O Sb2
Calculated formula	C34 H76 Cu2 F12 N6 O Sb2
Title of publication	Ligand and electronic effects on copper‒arylnitroso self-assembly
Authors of publication	Effaty, F.; Zsombor-Pindera, J.; Kazakova, A.; Girard, B.; Askari, M. S.; Ottenwaelder, X.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	10
Pages of publication	7758
a	14.7346 ± 0.0003 Å
b	10.1121 ± 0.0002 Å
c	17.0163 ± 0.0004 Å
α	90°
β	101.022 ± 0.001°
γ	90°
Cell volume	2488.62 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.0548
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230200 (current)	2019-11-17	cif/ Updating files of 7057309, 7057310, 7057311, 7057312, 7057313, 7057314, 7057315, 7057316 Original log message: Adding full bibliography for 7057309--7057316.cif.	7057313.cif
207423	2018-04-20	cif/ Adding structures of 7057309, 7057310, 7057311, 7057312, 7057313, 7057314, 7057315, 7057316 via cif-deposit CGI script.	7057313.cif