Crystallography Open Database

Information card for entry 4075076

Preview

Coordinates	4075076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 Ag F6 N4 P
Calculated formula	C42 H48 Ag F6 N4 P
SMILES	C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[Ag]=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	New Rhodium(I) Carbene Complexes from Carbene Transfer Reactions
Authors of publication	Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	9
Pages of publication	2359
a	15.9685 ± 0.0011 Å
b	48.636 ± 0.003 Å
c	16.2885 ± 0.001 Å
α	90°
β	90.043 ± 0.003°
γ	90°
Cell volume	12650.4 ± 1.4 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
178639 (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 4/07/50.	4075076.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075076.cif
49050	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075076 via cif-deposit CGI script.	4075076.cif