Crystallography Open Database

Information card for entry 4310462

Preview

Coordinates	4310462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H110 N6 O16 P8 Ru2
Calculated formula	C96 H78 N6 O16 P8 Ru2
SMILES	c1(ccccc1)[P](c1ccccc1)([Ru]1([N]#CC)([N]#CC)(OP2(=O)OP3(=O)O[Ru]([N]#CC)([N]#CC)(OP(=O)(O3)OP(=O)(O1)O2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.N#CC.OCC.O(CC)CC.N#CC.OCC.O(CC)CC
Title of publication	Synthesis and Characterization of Cyclotetraphosphato Complexes of Rh(I), Ir(I), Ru(II), and Pd(II)
Authors of publication	Sou Kamimura; Shigeki Kuwata; Masakazu Iwasaki; Youichi Ishii
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	399 - 401
a	11.134 ± 0.001 Å
b	14.932 ± 0.002 Å
c	15.744 ± 0.002 Å
α	92.54 ± 0.01°
β	104.713 ± 0.009°
γ	96.186 ± 0.01°
Cell volume	2509.9 ± 0.5 Å³
Cell temperature	294.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.1731
Goodness-of-fit parameter for all reflections included in the refinement	1.613
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4310462.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310462.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310462.cif
1950	2010-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4310462 via cif-deposit CGI script.	4310462.cif