Crystallography Open Database

Information card for entry 7037097

Preview

Coordinates	7037097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H100 N4 Na4 O6
Calculated formula	C66 H100 N4 Na4 O6
SMILES	[Na]1234[O](c5c(C(C)(C)C)cc(cc5C[N]53CC[N]2(Cc2c([O]1[Na][O]1CCCC1)c(C(C)(C)C)cc(c2)C)CCC5)C)[Na]123[O]4c4c(C(C)(C)C)cc(cc4C[N]43CC[N]2(Cc2c([O]1[Na][O]1CCCC1)c(C(C)(C)C)cc(c2)C)CCC4)C
Title of publication	Ring-opening polymerization of rac-lactide mediated by tetrametallic lithium and sodium diamino-bis(phenolate) complexes.
Authors of publication	Alhashmialameer, Dalal; Ikpo, Nduka; Collins, Julie; Dawe, Louise N.; Hattenhauer, Karen; Kerton, Francesca M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	46
Pages of publication	20216 - 20231
a	12.898 ± 0.004 Å
b	13.741 ± 0.004 Å
c	18.695 ± 0.006 Å
α	90°
β	101.518 ± 0.004°
γ	90°
Cell volume	3246.6 ± 1.7 Å³
Cell temperature	163 K
Ambient diffraction temperature	163 K
Number of distinct elements	5
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	0.0604
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.158
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171136 (current)	2015-12-09	cif/ Updating files of 7037096, 7037097 Original log message: Adding full bibliography for 7037096--7037097.cif.	7037097.cif
170114	2015-11-06	cif/ Adding structures of 7037096, 7037097 via cif-deposit CGI script.	7037097.cif