Crystallography Open Database

Information card for entry 7704228

Preview

Coordinates	7704228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H68 Al Cl N2 O4
Calculated formula	C42 H68 Al Cl N2 O4
SMILES	Cl[Al]12(Oc3c(C[N]41C[C@H](O[C@@H](C)C4)C)cc(cc3C(C)(C)C)C(C)(C)C)Oc1c(C[N]32C[C@H](O[C@@H](C)C3)C)cc(cc1C(C)(C)C)C(C)(C)C
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	11.4893 ± 0.0003 Å
b	13.7084 ± 0.0004 Å
c	15.1276 ± 0.0003 Å
α	111.101 ± 0.002°
β	105.252 ± 0.002°
γ	93.044 ± 0.002°
Cell volume	2115.43 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	7704228.cif
251298	2020-04-30	cif/ Adding structures of 7704226, 7704227, 7704228, 7704229 via cif-deposit CGI script.	7704228.cif