Crystallography Open Database

Information card for entry 4510275

Preview

Coordinates	4510275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cu N8 O4 P2
Calculated formula	C20 H20 Cu N8 O4 P2
SMILES	c1cccc2[n]1[Cu]134(OP(=O)(N2)Nc2cccc[n]12)OP(=O)(Nc1cccc[n]41)Nc1cccc[n]31
Title of publication	Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−
Authors of publication	Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	1701
a	19.418 ± 0.003 Å
b	19.418 ± 0.003 Å
c	25.392 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	9574 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
271475 (current)	2021-12-16	cif/4: Fixing some Z values and formulae	4510275.cif
179649	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/02.	4510275.cif
109008	2014-04-07	cif/ Adding structures of 4510275 via cif-deposit CGI script.	4510275.cif