Crystallography Open Database

Information card for entry 7220909

7220908 << 7220909 >> 7220910

Preview

Coordinates	7220909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 B2 F4 N8
Calculated formula	C32 H24 B2 F4 N8
SMILES	N1(N=C(N=[N]([B]1(F)F)c1ccccc1)c1cc(ccc1)C1=NN([B]([N](=N1)c1ccccc1)(F)F)c1ccccc1)c1ccccc1
Title of publication	Synthesis and characterization of conjugated/cross-conjugated benzene-bridged boron difluoride formazanate dimers
Authors of publication	Barbon, Stephanie M.; Price, Jacquelyn T.; Yogarajah, Umesh; Gilroy, Joe B.
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	69
Pages of publication	56316
a	18.424 ± 0.007 Å
b	17.935 ± 0.007 Å
c	18.574 ± 0.006 Å
α	90°
β	110.646 ± 0.01°
γ	90°
Cell volume	5743 ± 4 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.1079
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
139720 (current)	2015-06-27	cif/ Adding structures of 7220909 via cif-deposit CGI script.	7220909.cif