Crystallography Open Database

Information card for entry 7234419

Preview

Coordinates	7234419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 B Cl F2 N4 O5
Calculated formula	C14 H10 B Cl F2 N4 O5
SMILES	c12ccccn1cc1c3c([nH+]c4ccccn34)O[B](F)(F)[n]21.Cl(=O)(=O)(=O)[O-]
Title of publication	Morphology-controllable fabrication of organic microcrystals by solid-phase reactions: revealing morphology-sensitive highly efficient phosphorescence and enhanced near-infrared absorption
Authors of publication	Guo-Ping Yong; Chen Shen; Cong Zhang; Yu-Mei Zhao
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	9048 - 9052
a	20.522 ± 0.004 Å
b	5.1557 ± 0.0009 Å
c	15.049 ± 0.003 Å
α	90°
β	97.992 ± 0.002°
γ	90°
Cell volume	1576.8 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
219128 (current)	2019-10-07	cif/ Adding structures of 7234418, 7234419 via cif-deposit CGI script.	7234419.cif