Crystallography Open Database

Information card for entry 7700857

Preview

Coordinates	7700857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H58 Al N4 Na O3
Calculated formula	C51 H58 Al N4 Na O3
SMILES	c1(ccccc1)[N]1N(C(=[N](N([Al]1(c1ccccc1)c1ccccc1)c1ccccc1)[Na]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)c1ccc(cc1)C)Cc1ccccc1
Title of publication	Structure and bonding in reduced boron and aluminium complexes with formazanate ligands.
Authors of publication	Mondol, Ranajit; Otten, Edwin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	37
Pages of publication	13981 - 13988
a	14.8381 ± 0.0008 Å
b	16.7498 ± 0.001 Å
c	18.1161 ± 0.0019 Å
α	90°
β	96.559 ± 0.004°
γ	90°
Cell volume	4473 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.052
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223852 (current)	2019-11-07	cif/ Updating files of 7700856, 7700857 Original log message: Adding full bibliography for 7700856--7700857.cif.	7700857.cif
217569	2019-08-17	cif/ Adding structures of 7700856, 7700857 via cif-deposit CGI script.	7700857.cif