Crystallography Open Database

Information card for entry 4102725

Preview

Coordinates	4102725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94.5 H88 Cl8 F6 N8 O1.5 P Ru
Calculated formula	C94.576 H92 Cl7.848 F6 N8 O1.576 P Ru
Title of publication	η2-Porphyrin Ru(II) π Complexes
Authors of publication	Shigeru Yamaguchi; Hiroshi Shinokubo; Atsuhiro Osuka
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	9992 - 9993
a	15.6211 ± 0.0015 Å
b	16.9965 ± 0.0016 Å
c	18.8231 ± 0.0017 Å
α	98.56 ± 0.002°
β	108.486 ± 0.002°
γ	95.273 ± 0.002°
Cell volume	4635.1 ± 0.8 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0931
Residual factor for significantly intense reflections	0.0814
Weighted residual factors for significantly intense reflections	0.232
Weighted residual factors for all reflections included in the refinement	0.2459
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
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.	4102725.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102725.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102725.cif
25627	2011-09-12	../uploads/cif-deposit/cod/cif Adding structures of 4102725 via cif-deposit CGI script.	4102725.cif