Crystallography Open Database

Information card for entry 7717896

Preview

Coordinates	7717896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H53 B2 N9 O3
Calculated formula	C46 H53 B2 N9 O3
Title of publication	Tetra-coordinated organoboron complexes with triaminoguanidine-salicylidene based ligands: aggregation induced enhanced emission and mechanoresponsive features.
Authors of publication	Tharmalingam, Balamurugan; Kishore Kumar, Rajendran; Anitha, Ottoor; Kaminsky, Werner; Malecki, Jan Grzegorz; Murugesapandian, Balasubramanian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	9
Pages of publication	3897 - 3910
a	13.9824 ± 0.0009 Å
b	19.1267 ± 0.0012 Å
c	20.5066 ± 0.0013 Å
α	90.406 ± 0.004°
β	108.715 ± 0.003°
γ	90.449 ± 0.003°
Cell volume	5193.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1011
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.187
Weighted residual factors for all reflections included in the refinement	0.2119
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
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
298928 (current)	2025-04-05	cif/ Updating files of 7717892, 7717893, 7717894, 7717895, 7717896 Original log message: Adding full bibliography for 7717892--7717896.cif.	7717896.cif
297490	2025-01-28	cif/ Adding structures of 7717892, 7717893, 7717894, 7717895, 7717896 via cif-deposit CGI script.	7717896.cif