Crystallography Open Database

Information card for entry 7206734

7206733 << 7206734 >> 7206735

Preview

Coordinates	7206734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 N10 O8 S4
Calculated formula	C36 H40 N10 O8 S4
Title of publication	Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives
Authors of publication	Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	21
Pages of publication	6531
a	9.0972 ± 0.0002 Å
b	9.5762 ± 0.0002 Å
c	23.8891 ± 0.0003 Å
α	86.224 ± 0.001°
β	88.273 ± 0.001°
γ	88.214 ± 0.001°
Cell volume	2074.79 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1459
Weighted residual factors for all reflections included in the refinement	0.1628
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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