Crystallography Open Database

Information card for entry 4067890

Preview

Coordinates	4067890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 Cl F6 N9 P Pt
Calculated formula	C29 H27 Cl F6 N9 P Pt
SMILES	[Pt]12(=C3N(c4ccccc4N3Cc3cn(Cc4ccccc4)n[n]13)Cc1cn(Cc3ccccc3)n[n]21)Cl.CC#N.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Carbene Transfer Reactivities of Nickel(II)‒N-Heterocyclic Carbene Complexes and Their Applications in the Synthesis of Metal‒NHC Complexes
Authors of publication	Liu, Bo; Liu, Xiaolong; Chen, Chao; Chen, Congyan; Chen, Wanzhi
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	1
Pages of publication	282
a	11.4204 ± 0.0005 Å
b	11.9366 ± 0.0005 Å
c	12.5818 ± 0.0005 Å
α	107.726 ± 0.004°
β	93.539 ± 0.004°
γ	97.858 ± 0.004°
Cell volume	1608.65 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
178569 (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 4/06/78.	4067890.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067890.cif
38020	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4067886, 4067887, 4067888, 4067889, 4067890, 4067891, 4067892 via cif-deposit CGI script.	4067890.cif