Crystallography Open Database

Information card for entry 7716772

Preview

Coordinates	7716772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H86 N10
Calculated formula	C70 H86 N10
Title of publication	Exploring enantiopure zinc-scorpionates as catalysts for the preparation of polylactides, cyclic carbonates, and polycarbonates.
Authors of publication	Navarro, Marta; Sobrino, Sonia; Fernández, Israel; Lara-Sánchez, Agustín; Garcés, Andrés; Sánchez-Barba, Luis F
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	33
Pages of publication	13933 - 13949
a	9.5508 ± 0.0004 Å
b	10.8747 ± 0.0005 Å
c	16.511 ± 0.0007 Å
α	76.766 ± 0.002°
β	84.633 ± 0.002°
γ	68.232 ± 0.002°
Cell volume	1550.22 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
294558 (current)	2024-09-06	cif/ Updating files of 7716772 Original log message: Adding full bibliography for 7716772.cif.	7716772.cif
293584	2024-07-30	cif/ Adding structures of 7716772 via cif-deposit CGI script.	7716772.cif