Crystallography Open Database

Information card for entry 7042595

Preview

Coordinates	7042595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H33 N2 O Zn0.5
Calculated formula	C21 H33 N2 O Zn0.5
Title of publication	Ligands and complexes based on piperidine and their exploitation of the ring opening polymerisation of rac-lactide.
Authors of publication	McKeown, Paul; Brown-Humes, James; Davidson, Matthew G.; Mahon, Mary F.; Woodman, Timothy J.; Jones, Matthew D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	15
Pages of publication	5048 - 5057
a	24.045 ± 0.0002 Å
b	24.045 ± 0.0002 Å
c	14.5399 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	8406.42 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0283
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
196470 (current)	2017-05-06	cif/ Updating files of 7042587, 7042588, 7042589, 7042590, 7042591, 7042592, 7042593, 7042594, 7042595 Original log message: Adding full bibliography for 7042587--7042595.cif.	7042595.cif
194468	2017-03-24	cif/ Adding structures of 7042587, 7042588, 7042589, 7042590, 7042591, 7042592, 7042593, 7042594, 7042595 via cif-deposit CGI script.	7042595.cif