Crystallography Open Database

Information card for entry 4073865

Preview

Coordinates	4073865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H76 F12 Ir4 N8 O22 S4
Calculated formula	C71 H76 F9 Ir4 N8 O19 S3
Title of publication	Stepwise Formation of Tetra- and Hexanuclear Iridium and Rhodium Complexes Containing Oxalato Ligands
Authors of publication	Han, Ying-Feng; Lin, Yue-Jian; Jia, Wei-Guo; Weng, Lin-Hong; Jin, Guo-Xin
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	24
Pages of publication	5848
a	16.654 ± 0.005 Å
b	30.945 ± 0.01 Å
c	18.917 ± 0.006 Å
α	90°
β	91.905 ± 0.006°
γ	90°
Cell volume	9744 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1299
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1666
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	0.871
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
178627 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/38.	4073865.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073865.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073865.cif
46593	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073865 via cif-deposit CGI script.	4073865.cif