Crystallography Open Database

Information card for entry 4510278

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Coordinates	4510278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Cu N8 O6 P2
Calculated formula	C20 H24 Cu N8 O6 P2
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	13.4495 ± 0.0014 Å
b	15.0521 ± 0.0016 Å
c	16.6729 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	3375.3 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	66
Hermann-Mauguin space group symbol	C c c m
Hall space group symbol	-C 2 2c
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.0862
Weighted residual factors for significantly intense reflections	0.1832
Weighted residual factors for all reflections included in the refinement	0.1838
Goodness-of-fit parameter for all reflections included in the refinement	1.201
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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