Crystallography Open Database

Information card for entry 2238658

Preview

Coordinates	2238658.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[μ-3,3'-Bis(trihydroboryl)[3]ferrocenophane]bis(chloridozirconocene)
Formula	C33 H38 B2 Cl2 Fe Zr2
Calculated formula	C33 H38 B2 Cl2 Fe Zr2
Title of publication	[μ-3,3'-Bis(trihydroboryl)[3]ferrocenophane]bis(chloridozirconocene)
Authors of publication	Reichert, Adelina; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	m534 - m535
a	18.2954 ± 0.0009 Å
b	11.6004 ± 0.0006 Å
c	15.3351 ± 0.0006 Å
α	90°
β	104.963 ± 0.003°
γ	90°
Cell volume	3144.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	0.936
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238658.cif
89607	2013-11-06	cif/ Adding structures of 2238658 via cif-deposit CGI script.	2238658.cif