Crystallography Open Database

Information card for entry 7029191

Preview

Coordinates	7029191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H46 Cl Fe N2 Rh
Calculated formula	C34 H46 Cl Fe N2 Rh
Title of publication	Unsymmetrical N-heterocyclic carbenes with a 1,1'-ferrocenediyl backbone.
Authors of publication	Rittinghaus, Stefan; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	9
Pages of publication	3508 - 3520
a	11.7145 ± 0.0017 Å
b	12.8372 ± 0.0017 Å
c	21.686 ± 0.003 Å
α	81.088 ± 0.01°
β	82.726 ± 0.011°
γ	76.04 ± 0.011°
Cell volume	3113.1 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.1486
Residual factor for significantly intense reflections	0.0989
Weighted residual factors for significantly intense reflections	0.2454
Weighted residual factors for all reflections included in the refinement	0.2738
Goodness-of-fit parameter for all reflections included in the refinement	0.892
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
179997 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/91.	7029191.cif
105534	2014-03-12	cif/ Adding structures of 7029184, 7029185, 7029186, 7029187, 7029188, 7029189, 7029190, 7029191 via cif-deposit CGI script.	7029191.cif