Crystallography Open Database

Information card for entry 4519051

4519050 << 4519051 >> 4519052

Preview

Coordinates	4519051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H61 Al2 Cl3 K2 N4 O16
Calculated formula	C51 H61 Al2 Cl3 K2 N4 O16
Title of publication	Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations
Authors of publication	Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.
Journal of publication	ACS Catalysis
Year of publication	2021
Pages of publication	12532 - 12542
a	12.4551 ± 0.0006 Å
b	15.8089 ± 0.001 Å
c	16.1748 ± 0.0008 Å
α	65.273 ± 0.005°
β	82.478 ± 0.004°
γ	76.607 ± 0.005°
Cell volume	2812.1 ± 0.3 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1083
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
269476 (current)	2021-10-03	cif/ Adding structures of 4519050, 4519051, 4519052, 4519053, 4519054 via cif-deposit CGI script.	4519051.cif