Crystallography Open Database

Information card for entry 4116274

Preview

Coordinates	4116274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.5 H31 B F8 Zr
Calculated formula	C35.125 H30.875 B F8 Zr
Title of publication	New Fluorinated 9-Borafluorene Lewis Acids
Authors of publication	Preston A. Chase; Warren E. Piers; Brian O. Patrick
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	12911 - 12912
a	25.241 ± 0.003 Å
b	10.755 ± 0.002 Å
c	24.913 ± 0.002 Å
α	90°
β	112.302 ± 0.003°
γ	90°
Cell volume	6257.2 ± 1.5 Å³
Cell temperature	173.2 K
Ambient diffraction temperature	173.2 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	0.0685
Residual factor for significantly intense reflections	0.039
Weighted residual factors for all reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.051
Goodness-of-fit parameter for all reflections	1.823
Goodness-of-fit parameter for all reflections included in the refinement	1.823
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4116274.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116274.cif
70855	2013-01-05	cif/ Adding structures of 4116274 via cif-deposit CGI script.	4116274.cif