Crystallography Open Database

Information card for entry 7011652

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Coordinates	7011652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 Cu N7 O8
Calculated formula	C16 H13 Cu N7 O8
Title of publication	New U- and Y-shaped components for metallosupramolecular assemblies: synthesis and coordination chemistry of 2,6-bis(3-pyridyloxy)pyrazine
Authors of publication	McMorran, David A.; Steel, Peter J.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	17
Pages of publication	3321
a	8.148 ± 0.006 Å
b	11.446 ± 0.009 Å
c	11.866 ± 0.009 Å
α	108.12 ± 0.02°
β	96.74 ± 0.02°
γ	110.76 ± 0.03°
Cell volume	950.7 ± 1.3 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0773
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	0.937
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7011652.cif
179820	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 7/01/16.	7011652.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011652.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011652.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011652.cif