Crystallography Open Database

Information card for entry 4309007

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Coordinates	4309007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 N6 O4 Pb S2
Calculated formula	C28 H40 N6 O4 Pb S2
Title of publication	Lead(II) Thiocyanate Complexes with Bibracchial Lariat Ethers: An X-ray and DFT Study
Authors of publication	Carlos Platas-Iglesias; David Esteban-Gómez; Teresa Enríquez-Pérez; Fernando Avecilla; Andrés de Blas; Teresa Rodríguez-Blas
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	2224 - 2233
a	19.4091 ± 0.0008 Å
b	8.9255 ± 0.0004 Å
c	19.7706 ± 0.0008 Å
α	90°
β	106.98 ± 0.001°
γ	90°
Cell volume	3275.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1419
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	0.917
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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