Crystallography Open Database

Information card for entry 4335362

Preview

Coordinates	4335362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H60 N6 O12 P2 Pd6
Calculated formula	C28 H60 N6 O12 P2 Pd6
SMILES	[Pd]134[N]2(C(C)C)P6(=O)[N]1(C(C)C)[Pd]17[N]6([Pd]26[O]=C(C)O[Pd]2([N]5([Pd]([N]8([Pd]([N]2(P58=O)C(C)C)([O]=C(C)O3)[O]4C)C(C)C)([O]=C(C)O1)[O]7C)C(C)C)[O]=C(C)O6)C(C)C
Title of publication	Facile Formation of Stable Tris(imido)phosphate Trianions as Their Tri- and Hexanuclear Pd(II) Complexes in Protic Solvents
Authors of publication	Arvind K. Gupta; S. Arun Dixith Reddy; Ramamoorthy Boomishankar
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7608 - 7614
a	11.9132 ± 0.0006 Å
b	32.9964 ± 0.0014 Å
c	12.2459 ± 0.0005 Å
α	90°
β	115.837 ± 0.001°
γ	90°
Cell volume	4332.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0544
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0672
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
179456 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/53.	4335362.cif
101289	2014-02-11	cif/ Adding structures of 4335362 via cif-deposit CGI script.	4335362.cif