Crystallography Open Database

Information card for entry 7702439

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Coordinates	7702439.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(Nitrilo-tris(methylenephosphonate)copper(II)(water),Pyridonium
Formula	C8 H17 Cu N2 O10 P3
Calculated formula	C8 H11 Cu N2 O10 P3
Title of publication	Complexes of the tripodal nitrilotrimethylenetrisphosphonic (H6L) and P,P′,P ″-triphenylnitrilotrimethylenetrisphosphinic (H3L°) acids with the copper(II) ion. Synthesis and characterization of [Hpy][Cu(H3L)(H2O)] and [Cu(HL°)(py)]2·2Me2CO†
Authors of publication	Cecconi, Franco; Ghilardi, Carlo A.; Lorenzo Luis, Pablo A.; Midollini, Stefano; Orlandini, Annabella; Dakternieks, Dainis; Duthie, Andrew; Dominguez, Sixto; Berti, Elisabetta; Vacca, Alberto
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	2
Pages of publication	211
a	10.982 ± 0.005 Å
b	15.846 ± 0.009 Å
c	18.236 ± 0.006 Å
α	90 ± 0.04°
β	90 ± 0.04°
γ	90 ± 0.04°
Cell volume	3173 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P c a b
Hall space group symbol	-P 2bc 2ac
Residual factor for all reflections	0.1159
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for all reflections	0.1313
Weighted residual factors for significantly intense reflections	0.1097
Goodness-of-fit parameter for all reflections	1.026
Goodness-of-fit parameter for significantly intense reflections	1.082
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
243867 (current)	2019-11-28	cif/ Adding structures of 7702438, 7702439 via cif-deposit CGI script.	7702439.cif