Crystallography Open Database

Information card for entry 7116019

Preview

Coordinates	7116019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H51 Cu2 N6 O31.5 P6
Calculated formula	C36 H28 Cu2 N6 O31.5 P6
Title of publication	The copper(II)-phytate-terpyridine ternary system: the first crystal structures showing the interaction of phytate with bivalent metal and ammonium cations
Authors of publication	Nicolas Veiga; Julia Torres; Carla Bazzicalupi; Antonio Bianchi; Carlos Kremer
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	14971
a	13.0134 ± 0.0006 Å
b	14.0376 ± 0.0006 Å
c	15.1132 ± 0.0008 Å
α	108.626 ± 0.004°
β	98.79 ± 0.004°
γ	95.209 ± 0.004°
Cell volume	2556.6 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7116019.cif
128782	2014-12-16	cif/ Adding structures of 7116017, 7116018, 7116019, 7116020 via cif-deposit CGI script.	7116019.cif