Crystallography Open Database

Information card for entry 7113598

Preview

Coordinates	7113598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H60 B4 Cu4 F16 N27.5 O8
Calculated formula	C79 H60 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	21.4502 ± 0.0005 Å
b	21.4616 ± 0.0005 Å
c	19.922 ± 0.0005 Å
α	90°
β	90.156 ± 0.002°
γ	90°
Cell volume	9171.2 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1137
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1366
Goodness-of-fit parameter for all reflections included in the refinement	0.909
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103901
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.	7113598.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113598.cif
115152	2014-06-02	cif/ Adding structures of 7113597, 7113598, 7113599 via cif-deposit CGI script.	7113598.cif