Crystallography Open Database

Information card for entry 4105277

Preview

Coordinates	4105277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43.5 H32.25 B Br0.25 F15 Fe P Zr
Calculated formula	C43.5 H31 B Br0.25 F15 Fe P Zr
Title of publication	Stabilizing Zr and Ti Cations by Interaction With a Ferrocenyl Fragment
Authors of publication	Alberto Ramos; Edwin Otten; Douglas W. Stephan
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	15610 - 15611
a	12.7013 ± 0.0006 Å
b	15.4895 ± 0.0008 Å
c	22.0666 ± 0.0011 Å
α	110.254 ± 0.002°
β	97.413 ± 0.002°
γ	91.311 ± 0.002°
Cell volume	4028.2 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
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.	4105277.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105277.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105277.cif
30471	2011-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4105277 via cif-deposit CGI script.	4105277.cif