Crystallography Open Database

Information card for entry 7029188

Preview

Coordinates	7029188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.25 H42.5 Cl1.5 Fe N2 Rh
Calculated formula	C39.25 H42.5 Cl1.499 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	11.6403 ± 0.0007 Å
b	14.8878 ± 0.001 Å
c	20.1701 ± 0.0012 Å
α	98.297 ± 0.005°
β	91.535 ± 0.005°
γ	103.422 ± 0.005°
Cell volume	3357.8 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0832
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1347
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7029188.cif
105534	2014-03-12	cif/ Adding structures of 7029184, 7029185, 7029186, 7029187, 7029188, 7029189, 7029190, 7029191 via cif-deposit CGI script.	7029188.cif