Crystallography Open Database

Information card for entry 4067127

Preview

Coordinates	4067127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 Cl2 Fe I N2 O P
Calculated formula	C26 H30 Cl2 Fe I N2 O P
Title of publication	Phosphine-Tethered Carbene Ligands: Template Synthesis and Reactivity of Cyclic and Acyclic Functionalized Carbenes
Authors of publication	Yu, Insun; Wallis, Christopher J.; Patrick, Brian O.; Diaconescu, Paula L.; Mehrkhodavandi, Parisa
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	22
Pages of publication	6065
a	8.6746 ± 0.0002 Å
b	22.2743 ± 0.0008 Å
c	14.2245 ± 0.0005 Å
α	90°
β	100.86 ± 0.001°
γ	90°
Cell volume	2699.24 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.1029
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.2158
Weighted residual factors for all reflections included in the refinement	0.2361
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
178562 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/71.	4067127.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067127.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067127.cif
34089	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067124, 4067125, 4067126, 4067127, 4067128, 4067129, 4067130 via cif-deposit CGI script.	4067127.cif