Crystallography Open Database

Information card for entry 7007340

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Coordinates	7007340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H64 Cd2 O8 P4 S8
Calculated formula	C44 H64 Cd2 O8 P4 S8
Title of publication	Metal thiophosphonates and related compounds: an emerging area of supramolecular coordination chemistry.
Authors of publication	Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	26
Pages of publication	3257 - 3262
a	11.3883 ± 0.0009 Å
b	11.8699 ± 0.0009 Å
c	12.2242 ± 0.0009 Å
α	74.356 ± 0.006°
β	65.181 ± 0.005°
γ	77.253 ± 0.006°
Cell volume	1433.3 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0405
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0732
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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