Crystallography Open Database

Information card for entry 4310458

Preview

Coordinates	4310458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H90 N4 O12 P8 Rh2
Calculated formula	C92 H90 N4 O12 P8 Rh2
SMILES	[Rh]1234(OP5(=O)OP(=O)(O1)OP1(=O)O[Rh]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	12.087 ± 0.002 Å
b	14.469 ± 0.003 Å
c	25.105 ± 0.005 Å
α	83.73 ± 0.02°
β	82.65 ± 0.01°
γ	82.92 ± 0.01°
Cell volume	4301.7 ± 1.4 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	0.053
Weighted residual factors for all reflections included in the refinement	0.0529
Goodness-of-fit parameter for all reflections included in the refinement	1.309
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.	4310458.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310458.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310458.cif
1946	2010-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4310458 via cif-deposit CGI script.	4310458.cif