Crystallography Open Database

Information card for entry 4311188

Preview

Coordinates	4311188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H76.5 F24 N17.5 P4 Ru2
Calculated formula	C105 H76.5 F24 N17.5 P4 Ru2
Title of publication	From Eilatin to Isoeilatin: A Skeletal Rearrangement Strongly Influences π-Stacking of Ru(II) Complex
Authors of publication	Sheba D. Bergman; Dvora Reshef; Limor Frish; Yoram Cohen; Israel Goldberg; Moshe Kol
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	3792 - 3794
a	16.501 ± 0.0002 Å
b	17.243 ± 0.0003 Å
c	20.387 ± 0.0003 Å
α	67.194 ± 0.0006°
β	67.411 ± 0.0007°
γ	89.987 ± 0.0005°
Cell volume	4861.06 ± 0.13 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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 all reflections	0.1305
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
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.	4311188.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311188.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311188.cif
2680	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311188 via cif-deposit CGI script.	4311188.cif