Crystallography Open Database

Information card for entry 4072244

Preview

Coordinates	4072244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H32 B10 Ir N2 Se2
Calculated formula	C17 H32 B10 Ir N2 Se2
Title of publication	Synthesis and Characterization of Binuclear Half-Sandwich Iridium and Rhodium Carbene Complexes Containing 1,2-Dichalcogenolato Carborane or Carbonato Ligands
Authors of publication	Jia, Wei-Guo; Han, Ying-Feng; Jin, Guo-Xin
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	22
Pages of publication	6035
a	11.215 ± 0.004 Å
b	11.238 ± 0.004 Å
c	14.053 ± 0.005 Å
α	72.147 ± 0.005°
β	80.786 ± 0.005°
γ	60.952 ± 0.005°
Cell volume	1473.7 ± 0.9 Å³
Cell temperature	293 ± 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	0.0742
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	0.898
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
178611 (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 4/07/22.	4072244.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072244.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072244.cif
44303	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072243, 4072244, 4072245 via cif-deposit CGI script.	4072244.cif