Crystallography Open Database

Information card for entry 4325449

Preview

Coordinates	4325449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H63 F3 Ga O3 Rh S n2
Calculated formula	C45 H63 F3 Ga N2 O3 Rh S
SMILES	[Rh]123456([Ga]7(OS(=O)(=O)C(F)(F)F)N(C(=CC(=[N]7c7c(cccc7C(C)C)C(C)C)C)C)c7c(cccc7C(C)C)C(C)C)([cH]7[cH]1[cH]2[c]3([cH]4[cH]57)C)[CH]1CCCCCC[CH]6=1
Title of publication	Homoleptic Hexa and Penta Gallylene Coordinated Complexes of Molybdenum and Rhodium
Authors of publication	Timo Bollermann; Thomas Cadenbach; Christian Gemel; Kerstin Freitag; Mariusz Molon; Vanessa Gwildies; Roland A. Fischer
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	5808 - 5814
a	11.581 ± 0.0005 Å
b	21.9442 ± 0.001 Å
c	18.6298 ± 0.0009 Å
α	90°
β	96.623 ± 0.004°
γ	90°
Cell volume	4702.9 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	8
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	0.0819
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325449.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325449.cif
44519	2012-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4325449 via cif-deposit CGI script.	4325449.cif