Crystallography Open Database

Information card for entry 1543591

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Structure parameters

Common name	Integration of Bak034
Formula	C34 H54 Cl4 N8 O18 Rh2
Calculated formula	C34 H54 Cl4 N8 O18 Rh2
SMILES	[Rh]123(Cc4ccccc4)([NH]4CCC[NH]1CC[NH]2CCC[NH]3CC4)OCl(=O)(=O)=O.[Rh]123(Cc4ccccc4)([NH]4CC[NH]1CCC[NH]2CC[NH]3CCC4)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
Title of publication	Preparation and reactivity of macrocyclic rhodium(III) alkyl complexes
Authors of publication	Jack M. Carraher; Arkady Ellern; Andreja Bakac
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	254 - 258
a	16.7567 ± 0.0009 Å
b	18.9758 ± 0.001 Å
c	15.5961 ± 0.0008 Å
α	90°
β	104.698 ± 0.001°
γ	90°
Cell volume	4796.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.1079
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.2196
Weighted residual factors for all reflections included in the refinement	0.2418
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1543591.cif 1543591.hkl
184116	2016-07-01	cif/ hkl/ Adding structures of 1543591 via cif-deposit CGI script.	1543591.cif 1543591.hkl