Crystallography Open Database

Information card for entry 7006460

Preview

Coordinates	7006460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C119 H114 Cl10 F12 N12 O16 P4 Pt2 S4
Calculated formula	C119 H106 Cl10 F12 N12 O16 P4 Pt2 S4
Title of publication	New discrete metallocycles incorporating palladium(II) and platinum(II) corners and dipyridyldibenzotetraaza[14]annulene side units.
Authors of publication	Beves, Jonathon E.; Chapman, Bodgan E.; Kuchel, Philip W.; Lindoy, Leonard F.; McMurtrie, John; McPartlin, Mary; Thordarson, Pall; Wei, Gang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	5
Pages of publication	744 - 750
a	16.0311 ± 0.001 Å
b	21.1386 ± 0.0014 Å
c	22.8833 ± 0.0015 Å
α	112.085 ± 0.001°
β	104.335 ± 0.001°
γ	92.307 ± 0.001°
Cell volume	6884.7 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1433
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
179768 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/64.	7006460.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006460.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006460.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006460.cif