Crystallography Open Database

Information card for entry 4078544

Preview

Coordinates	4078544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H136 Ga2 I N4 O7 Tm
Calculated formula	C100 H136 Ga2 I N4 O7 Tm
Title of publication	Synthesis of Unsupported Ln‒Ga Bonds by Salt Metathesis and Ga‒Ga Bond Reduction
Authors of publication	Sanden, Tanja; Gamer, Michael T.; Fagin, Anatoly A.; Chudakova, Valentina A.; Konchenko, Sergey N.; Fedushkin, Igor L.; Roesky, Peter W.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	11
Pages of publication	4331
a	46.0961 ± 0.0015 Å
b	20.8634 ± 0.0009 Å
c	25.2675 ± 0.0008 Å
α	90°
β	122.319 ± 0.002°
γ	90°
Cell volume	20535.8 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1046
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
178674 (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 4/07/85.	4078544.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078544.cif
62410	2012-07-07	cif/ Adding structures of 4078540, 4078541, 4078542, 4078543, 4078544, 4078545 via cif-deposit CGI script.	4078544.cif