Crystallography Open Database

Information card for entry 4342233

Preview

Coordinates	4342233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H53 Cl7 F6 N2 O2 P3 Rh
Calculated formula	C55 H53 Cl7 F6 N2 O2 P3 Rh
SMILES	[Rh]1234(Cl)([P](c5ccc6c([nH]c(=O)cc6)c5)(c5ccccc5)c5ccccc5)([P](c5ccc6c([nH]c(=O)cc6)c5)(c5ccccc5)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].ClCCl.ClCCl.ClCCl
Title of publication	Design, Synthesis, and Characterization of Hybrid Metal-Ligand Hydrogen-Bonded (MLHB) Supramolecular Architectures.
Authors of publication	Sommer, Samantha K.; Zakharov, Lev N.; Pluth, Michael D.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1912 - 1918
a	12.4931 ± 0.0017 Å
b	15.48 ± 0.002 Å
c	15.839 ± 0.002 Å
α	90.066 ± 0.002°
β	102.854 ± 0.002°
γ	111.085 ± 0.002°
Cell volume	2775.3 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0892
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1
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
179525 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/22.	4342233.cif
132810	2015-03-04	cif/ Updating files of 4342231, 4342232, 4342233 Original log message: Adding full bibliography for 4342231--4342233.cif.	4342233.cif
130440	2015-02-04	cif/ Adding structures of 4342233 via cif-deposit CGI script.	4342233.cif