Crystallography Open Database

Information card for entry 4071434

Preview

Coordinates	4071434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H59 B11 Ir N O P2 Sn
Calculated formula	C44 H59 B11 Ir N O P2 Sn
Title of publication	Iridium Coordination Compounds of Stanna-closo-dodecaborate
Authors of publication	Kirchmann, Marius; Fleischhauer, Sebastian; Wesemann, Lars
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	12
Pages of publication	2803
a	20.38 ± 0.005 Å
b	18.465 ± 0.007 Å
c	13.154 ± 0.003 Å
α	90°
β	97.689 ± 0.019°
γ	90°
Cell volume	4906 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1531
Residual factor for significantly intense reflections	0.1046
Weighted residual factors for significantly intense reflections	0.1645
Weighted residual factors for all reflections included in the refinement	0.1796
Goodness-of-fit parameter for all reflections included in the refinement	1.237
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
178603 (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 4/07/14.	4071434.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071434.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071434.cif
43835	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071431, 4071432, 4071433, 4071434, 4071435 via cif-deposit CGI script.	4071434.cif