Crystallography Open Database

Information card for entry 7113606

Preview

Coordinates	7113606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H86 Cl4 Cu4 N22 O2 P4
Calculated formula	C90 H86 Cl4 Cu4 N22 O2 P4
Title of publication	Exo-metal coordination by a tricyclic [{P(μ-N-2-NC5H4)}2(μ-O)]2 dimer in [{P(μ-N-2-NC5H4)}2(μ-O)]2{CuCl·(C5H5N)2}4 {2-NC5H4 = 2-pyridyl, C5H5N = pyridine)
Authors of publication	Bond, Andrew D.; Doyle, Emma L.; García, Felipe; Kowenicki, Richard A.; McPartlin, Mary; Riera, Lucía; Wright, Dominic S.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	24
Pages of publication	2990 - 2991
a	13.7629 ± 0.0003 Å
b	13.9287 ± 0.0002 Å
c	14.1546 ± 0.0003 Å
α	61.079 ± 0.007°
β	87.902 ± 0.007°
γ	82.493 ± 0.009°
Cell volume	2353.57 ± 0.19 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0607
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Duplicate of	7103908
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210539 (current)	2018-09-07	cif/7/ Updating bibliography in entries 7103907-7103908, 7113605-7113606. Marking entries 7113605-7113606 as duplicates of entries 7103907-7103908.	7113606.cif
180250	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 7/11/36.	7113606.cif
115157	2014-06-02	cif/ Adding structures of 7113605, 7113606 via cif-deposit CGI script.	7113606.cif