Crystallography Open Database

Information card for entry 8105111

Preview

Coordinates	8105111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 B2 F4 I2 N4
Calculated formula	C14 H14 B2 F4 I2 N4
Title of publication	Crystal structure of 2,7-diiodo-1,3,6,8-tetramethyl-bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine, C14H14B2F4I2N4
Authors of publication	Liu, Yingfan; Li, Xiaochuan; Sun, Saisai; Ji, Guangqian; Son, Young-A.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	371 - 372
a	7.5458 ± 0.0007 Å
b	8.5659 ± 0.0006 Å
c	8.6089 ± 0.0005 Å
α	108.189 ± 0.006°
β	110.492 ± 0.007°
γ	98.678 ± 0.007°
Cell volume	473.56 ± 0.08 Å³
Cell temperature	296.45 ± 0.11 K
Ambient diffraction temperature	296.45 ± 0.11 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.0831
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
274841 (current)	2022-05-03	cif/ Adding structures of 8105111 via cif-deposit CGI script.	8105111.cif