Crystallography Open Database

Information card for entry 7008403

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Structure parameters

Formula	C82 H104 Cl4 N3 O10 P3 S3
Calculated formula	C82 H104 Cl4 N3 O10 P3 S3
Title of publication	Addition products of a P(III)-isothiocyanate to dialkyl acetylenedicarboxylates: a spirocyclic phosphinimine and a triphosphorus heterocycle with tetra- and penta-coordinate phosphorus.
Authors of publication	Kumaraswamy, Sudha; Kumar, K. Senthil; Kumar, N. Satish; Swamy, K. C. Kumara
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	10
Pages of publication	1847 - 1851
a	20.597 ± 0.005 Å
b	17.682 ± 0.009 Å
c	25.858 ± 0.006 Å
α	90°
β	96.3 ± 0.02°
γ	90°
Cell volume	9361 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1005
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1915
Weighted residual factors for all reflections included in the refinement	0.2141
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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