Crystallography Open Database

Information card for entry 4310459

Preview

Coordinates	4310459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H90 Ir2 N4 O12 P8
Calculated formula	C92 H90 Ir2 N4 O12 P8
SMILES	[Ir]1234(OP5(=O)OP(O1)(=O)OP1(=O)O[Ir]678(OP(=O)(O1)O5)[CH]1=[CH]6CC[CH]7=[CH]8CC1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.N#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	12.114 ± 0.001 Å
b	14.482 ± 0.002 Å
c	25.103 ± 0.003 Å
α	83.798 ± 0.009°
β	82.657 ± 0.01°
γ	83.01 ± 0.009°
Cell volume	4316.2 ± 0.9 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	0.0404
Weighted residual factors for all reflections included in the refinement	0.0415
Goodness-of-fit parameter for all reflections included in the refinement	1.238
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.	4310459.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310459.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310459.cif
1947	2010-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4310459 via cif-deposit CGI script.	4310459.cif