Crystallography Open Database

Information card for entry 7036150

Preview

Coordinates	7036150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59.33 H90.67 Br2 Cu2 N8 O11 S1.17
Calculated formula	C59.3334 H90.6668 Br2 Cu2 N8 O11 S1.1667
Title of publication	Piperazine linked salicylaldoxime and salicylaldimine-based dicopper(ii) receptors for anions.
Authors of publication	De Silva, D Nirosha T; Jameson, Geoffrey B.; Pannu, Ajay Pal Singh; Pouhet, Raphëlle; Wenzel, Marco; Plieger, Paul G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	36
Pages of publication	15949 - 15959
a	15.4887 ± 0.0003 Å
b	28.5296 ± 0.0005 Å
c	17.2548 ± 0.0012 Å
α	90°
β	97.39 ± 0.007°
γ	90°
Cell volume	7561.3 ± 0.6 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1012
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.2117
Weighted residual factors for all reflections included in the refinement	0.2424
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
161419 (current)	2015-10-09	cif/ Updating files of 7036149, 7036150, 7036151, 7036152, 7036153 Original log message: Adding full bibliography for 7036149--7036153.cif.	7036150.cif
153347	2015-08-12	cif/ Adding structures of 7036149, 7036150, 7036151, 7036152, 7036153 via cif-deposit CGI script.	7036150.cif