Crystallography Open Database

Information card for entry 4113138

Preview

Coordinates	4113138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H68 B2 Cl8 F8 O4 P4 Rh2 S2
Calculated formula	C74 H68 B2 Cl8 F8 O4 P4 Rh2 S2
Title of publication	Halide-Induced Supramolecular Ligand Rearrangement
Authors of publication	Aaron M. Brown; Maxim V. Ovchinnikov; Charlotte L. Stern; Chad A. Mirkin
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	14316 - 14317
a	11.536 ± 0.002 Å
b	14.0279 ± 0.0017 Å
c	14.279 ± 0.003 Å
α	94.746 ± 0.018°
β	111.785 ± 0.015°
γ	108.13 ± 0.012°
Cell volume	1987.1 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
178902 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/31.	4113138.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113138.cif
65559	2012-09-05	cif/ Adding structures of 4113138 via cif-deposit CGI script.	4113138.cif