Crystallography Open Database

Information card for entry 4102726

Preview

Coordinates	4102726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H108 Cl3 N7 O4 Ru
Calculated formula	C99 H108 Cl3 N7 O4 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	16.015 ± 0.005 Å
b	16.55 ± 0.005 Å
c	20.775 ± 0.005 Å
α	66.592 ± 0.005°
β	71.642 ± 0.005°
γ	75.795 ± 0.005°
Cell volume	4750 ± 2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	293 ± 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	0.117
Residual factor for significantly intense reflections	0.0902
Weighted residual factors for significantly intense reflections	0.2264
Weighted residual factors for all reflections included in the refinement	0.2467
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178773 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/27.	4102726.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102726.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102726.cif
25628	2011-09-12	../uploads/cif-deposit/cod/cif Adding structures of 4102726 via cif-deposit CGI script.	4102726.cif