Crystallography Open Database

Information card for entry 4510279

Preview

Coordinates	4510279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H34 Cu N10 O6 P2
Calculated formula	C26 H34 Cu N10 O6 P2
SMILES	C(=O)N(C)C.[Cu]1234(OP(=O)(Nc5cccc[n]15)Nc1cccc[n]31)OP(=O)(Nc1cccc[n]21)Nc1cccc[n]41.C(=O)N(C)C
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	11.08 ± 0.0003 Å
b	10.0088 ± 0.0003 Å
c	14.0334 ± 0.0004 Å
α	90°
β	90.584 ± 0.002°
γ	90°
Cell volume	1556.19 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
179649 (current)	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.	4510279.cif
109012	2014-04-07	cif/ Adding structures of 4510279 via cif-deposit CGI script.	4510279.cif