Crystallography Open Database

Information card for entry 7704229

Preview

Coordinates	7704229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H70 Al Cl N2 O2
Calculated formula	C48 H70 Al Cl N2 O2
SMILES	Cl[Al]123Oc4c(C[N]3(Cc3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)CC[N]2(C)C)cc(cc4C(C)(C)C)C(C)(C)C.Cc1ccccc1.Cc1ccccc1
Title of publication	Copolymerization of CHO/CO<sub>2</sub> catalyzed by a series of aluminum amino-phenolate complexes and insights into structure-activity relationships.
Authors of publication	Plommer, Hart; Stein, Laura; Murphy, Jennifer N.; Ikpo, Nduka; Mora-Diez, Nelaine; Kerton, Francesca M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	20
Pages of publication	6884 - 6895
a	13.1378 ± 0.0004 Å
b	24.9763 ± 0.0006 Å
c	14.4263 ± 0.0004 Å
α	90°
β	110.413 ± 0.003°
γ	90°
Cell volume	4436.5 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.1157
Residual factor for significantly intense reflections	0.0981
Weighted residual factors for significantly intense reflections	0.1769
Weighted residual factors for all reflections included in the refinement	0.1875
Goodness-of-fit parameter for all reflections included in the refinement	1.181
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
252783 (current)	2020-06-05	cif/ Updating files of 7704226, 7704227, 7704228, 7704229 Original log message: Adding full bibliography for 7704226--7704229.cif.	7704229.cif
251298	2020-04-30	cif/ Adding structures of 7704226, 7704227, 7704228, 7704229 via cif-deposit CGI script.	7704229.cif