Crystallography Open Database

Information card for entry 4071655

Preview

Coordinates	4071655.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H43 I2 N P2 Ru
Calculated formula	C23 H43 I2 N P2 Ru
SMILES	I[Ru]12(I)[P](Cc3[n]2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	Stable Carbene and Diazoalkane Complexes of the Same Complex System. Synthesis, Structure, and Reactivity of PNP−Ru(II) Fluorenylidene and Diazofluorene Complexes
Authors of publication	Zhang, Jing; Gandelman, Mark; Shimon, Linda J. W.; Milstein, David
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	14
Pages of publication	3526
a	14.88 ± 0.003 Å
b	12.005 ± 0.002 Å
c	16.352 ± 0.003 Å
α	90°
β	104.79 ± 0.03°
γ	90°
Cell volume	2824.3 ± 1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0519
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0693
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
178605 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/16.	4071655.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071655.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071655.cif
43960	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071652, 4071653, 4071654, 4071655, 4071656 via cif-deposit CGI script.	4071655.cif