Crystallography Open Database

Information card for entry 4310735

Preview

Coordinates	4310735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C146 H114 B2 F48 O8 P4 Ru2
Calculated formula	C146 H114 B2 F48 O8 P4 Ru2
Title of publication	X-ray Diffraction and NMR Studies on a Series of Binap-Based Ru(II) Hydroxyphosphine π-Arene Complexes
Authors of publication	Tilmann J. Geldbach; Frank Breher; Volker Gramlich; P. G. Anil Kumar; Paul S. Pregosin
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	1920 - 1928
a	14.154 ± 0.004 Å
b	16.131 ± 0.005 Å
c	16.602 ± 0.005 Å
α	108.787 ± 0.006°
β	92.473 ± 0.006°
γ	102.81 ± 0.006°
Cell volume	3472.2 ± 1.8 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0906
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
179146 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/07.	4310735.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310735.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310735.cif
2224	2010-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4310735 via cif-deposit CGI script.	4310735.cif