Crystallography Open Database

Information card for entry 4075306

Preview

Coordinates	4075306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H74 B20 Cl Er2 Na O5
Calculated formula	C41 H66 B20 Cl Er2 Na O5
Title of publication	Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes
Authors of publication	Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	10
Pages of publication	2617
a	17.5472 ± 0.0008 Å
b	34.6509 ± 0.0015 Å
c	46.269 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	28133 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1448
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.2324
Weighted residual factors for all reflections included in the refinement	0.2754
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
178642 (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 4/07/53.	4075306.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075306.cif
49168	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075299, 4075300, 4075301, 4075302, 4075303, 4075304, 4075305, 4075306, 4075307, 4075308 via cif-deposit CGI script.	4075306.cif