Crystallography Open Database

Information card for entry 4337318

Preview

Coordinates	4337318.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	13
Formula	C30 H43 Br Cl4 N2
Calculated formula	C30 H43 Br Cl4 N2
Title of publication	Synthesis and luminescent properties of lewis base-appended borafluorenes.
Authors of publication	Berger, Christopher J.; He, Gang; Merten, Christian; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	3
Pages of publication	1475 - 1486
a	11.6745 ± 0.0003 Å
b	12.1104 ± 0.0003 Å
c	12.244 ± 0.0003 Å
α	79.336 ± 0.001°
β	85.434 ± 0.001°
γ	89.785 ± 0.001°
Cell volume	1695.69 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0463
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179476 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/73.	4337318.cif
106271	2014-03-15	cif/ Adding structures of 4337315, 4337316, 4337317, 4337318, 4337319 via cif-deposit CGI script.	4337318.cif