Crystallography Open Database

Information card for entry 7113599

Preview

Coordinates	7113599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H70.5 B4 Cu4 F16 N27.5 O8
Calculated formula	C79 H70.5 B4 Cu4 F16 N27.5 O8
Title of publication	Control of molecular architecture by the degree of deprotonation: self-assembled di- and tetranuclear copper(II) complexes of N,N'-bis(2-pyridylmethyl)pyrazine-2,3-dicarboxamide
Authors of publication	Hausmann, Julia; Jameson, Geoffrey B.; Brooker, Sally
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	24
Pages of publication	2992 - 2993
a	15.189 ± 0.003 Å
b	15.191 ± 0.003 Å
c	20.048 ± 0.004 Å
α	90°
β	90.41 ± 0.03°
γ	90°
Cell volume	4625.7 ± 1.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1025
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.1952
Weighted residual factors for all reflections included in the refinement	0.2204
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103902
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210534 (current)	2018-09-07	cif/7/ Updating bibliography in entries 7103900-7103902, 7113597-7113599. Marking entries 7113597-7113599 as duplicates of entries 7103900-7103902.	7113599.cif
180249	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35.	7113599.cif
115152	2014-06-02	cif/ Adding structures of 7113597, 7113598, 7113599 via cif-deposit CGI script.	7113599.cif