Crystallography Open Database

Information card for entry 4501603

Preview

Coordinates	4501603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H78 N16 O47 Pb4 S4
Calculated formula	C80 H76 N16 O47 Pb4 S4
Title of publication	Supramolecular Coordination Complexes with 5-Sulfoisophthalic Acid and 2,5-Bipyridyl-1,3,4-Oxadiazole: Specific Sensitivity to Acidity for Cd(II) Species
Authors of publication	Li, Cheng-Peng; Yu, Qian; Chen, Jing; Du, Miao
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	6
Pages of publication	2650
a	11.427 ± 0.0004 Å
b	14.3404 ± 0.0005 Å
c	15.1217 ± 0.0006 Å
α	89.392 ± 0.001°
β	82.79 ± 0.001°
γ	84.044 ± 0.001°
Cell volume	2445.09 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0287
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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