Crystallography Open Database

Information card for entry 7236242

Preview

Coordinates	7236242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H58 Ca N3 O P Se Si2
Calculated formula	C41 H58 Ca N3 O P Se Si2
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	10.204 ± 0.004 Å
b	16.193 ± 0.007 Å
c	17.708 ± 0.007 Å
α	65.515 ± 0.014°
β	85.943 ± 0.012°
γ	73.318 ± 0.014°
Cell volume	2546.8 ± 1.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1289
Residual factor for significantly intense reflections	0.0879
Weighted residual factors for significantly intense reflections	0.2587
Weighted residual factors for all reflections included in the refinement	0.2821
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
235303 (current)	2019-11-23	cif/ Adding structures of 7236241, 7236242, 7236243 via cif-deposit CGI script.	7236242.cif