Crystallography Open Database

Information card for entry 7207214

7207213 << 7207214 >> 7207215

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Coordinates	7207214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H54 N4 O4 P2 S4
Calculated formula	C27 H54 N4 O4 P2 S4
Title of publication	Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions
Authors of publication	Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	4
Pages of publication	1324
a	45.212 ± 0.002 Å
b	8.3601 ± 0.0004 Å
c	19.7758 ± 0.002 Å
α	90°
β	105.821 ± 0.007°
γ	90°
Cell volume	7191.6 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1638
Weighted residual factors for all reflections included in the refinement	0.1732
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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