Crystallography Open Database

Information card for entry 7714268

Preview

Coordinates	7714268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 B F2 N2
Calculated formula	C25 H27 B F2 N2
SMILES	F[B]1(F)[N](=C(N1C(C)(C)C)c1c2c3c(cc1)ccc1c3c(cc2)ccc1)C(C)(C)C
Title of publication	Blue Emissive Amidinate Based Tetra coordinate Boron Compounds
Authors of publication	Kannan, Ramkumar; Nayak, Prakash; Arumugam, Ramar; Krishna Rao, D.; Mote, Kaustubh R.; Murali, Anna Chandrasekar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli
Journal of publication	Dalton Transactions
Year of publication	2023
a	24.46 ± 0.002 Å
b	8.6052 ± 0.0008 Å
c	24.688 ± 0.003 Å
α	90°
β	103.579 ± 0.011°
γ	90°
Cell volume	5051.2 ± 0.9 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1369
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.1941
Weighted residual factors for all reflections included in the refinement	0.2265
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
295543 (current)	2024-10-18	cif/7: Fixing Z values and formulae	7714268.cif
287067	2023-10-21	cif/ Adding structures of 7714266, 7714267, 7714268, 7714269, 7714270, 7714271, 7714272 via cif-deposit CGI script.	7714268.cif