Crystallography Open Database

Information card for entry 4301115

Preview

Coordinates	4301115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H42 N6 O9 Ru
Calculated formula	C37 H29 N6 O9 Ru
Title of publication	Heteroleptic Dipyrrin/Bipyridine Complexes of Ruthenium(II)
Authors of publication	Serena J. Smalley; Mark R. Waterland; Shane G. Telfer
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	13 - 15
a	8.7698 ± 0.0001 Å
b	12.4672 ± 0.0001 Å
c	17.3089 ± 0.0002 Å
α	108.07 ± 0.001°
β	90.117 ± 0.001°
γ	92.858 ± 0.001°
Cell volume	1796.58 ± 0.03 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179049 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/11.	4301115.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301115.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301115.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301115.cif