Crystallography Open Database

Information card for entry 4510682

Preview

Coordinates	4510682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H8 Cu N2 Na2 O12.88 S
Calculated formula	C16 H8 Cu N2 Na2.0155 O12.806 S
Title of publication	An Angular Bis-Oxamate Tecton for the Construction of Heterobimetallic Coordination Polymers
Authors of publication	Allão Cassaro, Rafael A.; Ciattini, Samuele; Soriano, Stephane; Amorim, Hélio S.; Speziali, Nivaldo L.; Andruh, Marius; Vaz, Maria G. F.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	7
Pages of publication	2711
a	17.5187 ± 0.0006 Å
b	26.0111 ± 0.0005 Å
c	39.6741 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	18078.7 ± 0.9 Å³
Cell temperature	122 ± 4 K
Ambient diffraction temperature	122 ± 4 K
Number of distinct elements	7
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1077
Residual factor for significantly intense reflections	0.0843
Weighted residual factors for significantly intense reflections	0.2253
Weighted residual factors for all reflections included in the refinement	0.2498
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	Yes
Has F_obs	No

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