Crystallography Open Database

Information card for entry 4334239

Preview

Coordinates	4334239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 Cl2 N8 O8 Ru
Calculated formula	C27 H20 Cl2 N8 O8 Ru
Title of publication	Modular Synthesis of Alkyne-Substituted Ruthenium Polypyridyl Complexes Suitable for "Click" Coupling
Authors of publication	James B. Gerken; Matthew L. Rigsby; Rose E. Ruther; Riviam J. Pérez-Rodríguez; Ilia A. Guzei; Robert J. Hamers; Shannon S. Stahl
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2796 - 2798
a	9.6495 ± 0.0013 Å
b	12.3186 ± 0.0019 Å
c	15.199 ± 0.003 Å
α	85.888 ± 0.009°
β	77.75 ± 0.006°
γ	77.536 ± 0.008°
Cell volume	1723.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0506
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288505 (current)	2023-12-22	Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name.	4334239.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4334239.cif
100054	2014-02-04	cif/ Adding structures of 4334239 via cif-deposit CGI script.	4334239.cif