Crystallography Open Database

Information card for entry 7701349

Preview

Coordinates	7701349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H58 N O2 Sc Si
Calculated formula	C37 H58 N O2 Sc Si
Title of publication	Constrained geometry scandium permethylindenyl complexes for the ring-opening polymerisation of l- and rac-lactide.
Authors of publication	Diteepeng, Nichabhat; Buffet, Jean-Charles; Turner, Zoë R; O'Hare, Dermot
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	42
Pages of publication	16099 - 16107
a	11.8504 ± 0.0001 Å
b	16.914 ± 0.0002 Å
c	18.1946 ± 0.0002 Å
α	90°
β	103.479 ± 0.001°
γ	90°
Cell volume	3546.43 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224035 (current)	2019-11-07	cif/ Updating files of 7701349, 7701350, 7701351 Original log message: Adding full bibliography for 7701349--7701351.cif.	7701349.cif
219235	2019-10-10	cif/ Adding structures of 7701349, 7701350, 7701351 via cif-deposit CGI script.	7701349.cif