Crystallography Open Database

Information card for entry 7714669

Preview

Coordinates	7714669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H43 Al Br N2 O
Calculated formula	C32 H43 Al Br N2 O
Title of publication	Flexible NHC-aryloxido aluminum complex and its zwitterionic imidazolium aluminate precursor in ring-opening polymerization of ε-caprolactone.
Authors of publication	Goswami, Santu; Mandal, Pranay; Sarkar, Subham; Mukherjee, Mainak; Pal, Samanwita; Mallick, Dibyendu; Mukherjee, Debabrata
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	3
Pages of publication	1346 - 1354
a	14.48 ± 0.0001 Å
b	14.1304 ± 0.0001 Å
c	16.5352 ± 0.0001 Å
α	90°
β	100.969 ± 0.001°
γ	90°
Cell volume	3321.43 ± 0.04 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 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	0.0401
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289552 (current)	2024-02-04	cif/ Updating files of 7714669, 7714670 Original log message: Adding full bibliography for 7714669--7714670.cif.	7714669.cif
288232	2023-12-12	cif/ Adding structures of 7714669, 7714670 via cif-deposit CGI script.	7714669.cif