Crystallography Open Database

Information card for entry 4510280

Preview

Coordinates	4510280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H65 Cu2 N21 O11 P4
Calculated formula	C53 H65 Cu2 N21 O11 P4
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	11.6307 ± 0.0015 Å
b	19.702 ± 0.002 Å
c	15.3466 ± 0.0019 Å
α	90°
β	110.414 ± 0.003°
γ	90°
Cell volume	3295.8 ± 0.7 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0791
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4510280.cif
109013	2014-04-07	cif/ Adding structures of 4510280 via cif-deposit CGI script.	4510280.cif