Crystallography Open Database

Information card for entry 7236243

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Coordinates	7236243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H64 Ca N4 P2 S2
Calculated formula	C62 H64 Ca N4 P2 S2
Title of publication	Calcium complexes with imino-phosphinanilido chalcogenide ligands for heterofunctionalisation catalysis
Authors of publication	Anga, Srinivas; Carpentier, Jean-François; Panda, Tarun K.; Roisnel, Thierry; Sarazin, Yann
Journal of publication	RSC Advances
Year of publication	2016
Journal volume	6
Journal issue	63
Pages of publication	57835
a	22.6518 ± 0.0006 Å
b	10.3398 ± 0.0002 Å
c	25.6988 ± 0.0007 Å
α	90°
β	115.912 ± 0.003°
γ	90°
Cell volume	5413.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0421
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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