Crystallography Open Database

Information card for entry 4308456

Preview

Coordinates	4308456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 Cu2 N5 O11 P2
Calculated formula	C26 H22 Cu2 N5 O11 P2
Title of publication	New Types of Metal Squarato-phosphonates: Condensation of Aminodiphosphonate with Squaric Acid under Hydrothermal Conditions
Authors of publication	Bing-Ping Yang; Jiang-Gao Mao
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	566 - 571
a	11.768 ± 0.0004 Å
b	12.179 ± 0.0004 Å
c	12.6422 ± 0.0004 Å
α	77.886 ± 0.001°
β	65.213 ± 0.001°
γ	63.538 ± 0.001°
Cell volume	1472.05 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0498
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179122 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/84.	4308456.cif
120081	2014-07-11	Adding DOIs to range 4/30 structures.	4308456.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308456.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308456.cif