Crystallography Open Database

Information card for entry 7031729

Preview

Coordinates	7031729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H56 Cl2 N4 O4 P2 Ru
Calculated formula	C64 H56 Cl2 N4 O4 P2 Ru
Title of publication	Ruthenium, osmium and rhodium complexes of 1,4-diaryl 1,4-diazabutadiene: radical versus non-radical states.
Authors of publication	Chandra Patra, Sarat; Saha Roy, Amit; Manivannan, Vadivelu; Weyhermüller, Thomas; Ghosh, Prasanta
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	36
Pages of publication	13731 - 13741
a	27.7677 ± 0.0003 Å
b	13.6919 ± 0.0002 Å
c	16.325 ± 0.0002 Å
α	90°
β	114.432 ± 0.001°
γ	90°
Cell volume	5650.86 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0627
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	0.928
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
180023 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/17.	7031729.cif
123462	2014-09-08	cif/ Updating files of 7031729 Original log message: Adding full bibliography for 7031729.cif.	7031729.cif
120726	2014-07-24	cif/ Adding structures of 7031729 via cif-deposit CGI script.	7031729.cif