Crystallography Open Database

Information card for entry 7029963

Preview

Coordinates	7029963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H35 F12 N11 P2 Pd2 S2
Calculated formula	C30 H35 F12 N11 P2 Pd2 S2
SMILES	[Pd]12(Sc3[n]([Pd]4(Sc5[n]1cccc5)=C1N(C=CN1C)CN1C=4N(C)C=C1)cccc3)=C1N(CN3C=2N(C)C=C3)C=CN1C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
Title of publication	Synthesis of [PdL(NH3)2](PF6)2 (L = 1,1'-di(alkyl)-3,3'-methylenediimidazolin-2,2'-diylidene) complexes and their reactivities towards N-donors.
Authors of publication	Chen, Chao; Chen, Wanzhi; Qiu, Huayu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	43
Pages of publication	13405 - 13412
a	15.747 ± 0.0004 Å
b	15.2248 ± 0.0005 Å
c	17.4931 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4193.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
180005 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/99.	7029963.cif
111045	2014-04-20	cif/ Adding structures of 7029961, 7029962, 7029963, 7029964, 7029965, 7029966 via cif-deposit CGI script.	7029963.cif