Crystallography Open Database

Information card for entry 7017224

Preview

Coordinates	7017224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H110 B4 Cu2 F16 N8 O11
Calculated formula	C77 H110 B4 Cu2 F16 N8 O11
Title of publication	Anion-driven conformation control and enhanced sulfate binding utilising aryl linked salicylaldoxime dicopper helicates.
Authors of publication	Stevens, James R.; Plieger, Paul G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	45
Pages of publication	12235 - 12241
a	11.7783 ± 0.0003 Å
b	19.0859 ± 0.0005 Å
c	20.9814 ± 0.0015 Å
α	82.675 ± 0.006°
β	77.892 ± 0.005°
γ	75.638 ± 0.005°
Cell volume	4453.4 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1141
Residual factor for significantly intense reflections	0.0881
Weighted residual factors for significantly intense reflections	0.2404
Weighted residual factors for all reflections included in the refinement	0.2718
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	Copper
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179876 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/72.	7017224.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017224.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017224.cif
31276	2011-12-13	../uploads/cif-deposit/cod/cif Adding structures of 7017224, 7017225, 7017226, 7017227 via cif-deposit CGI script.	7017224.cif