Crystallography Open Database

Information card for entry 7039236

Preview

Coordinates	7039236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H52 B F24 N4 O2 Rh
Calculated formula	C56 H52 B F24 N4 O2 Rh
Title of publication	Coordination chemistry of a calix[4]arene-based NHC ligand: dinuclear complexes and comparison to I(i)Pr2Me2.
Authors of publication	Patchett, Ruth; Chaplin, Adrian B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	21
Pages of publication	8945 - 8955
a	17.0878 ± 0.0003 Å
b	18.9928 ± 0.0003 Å
c	19.5695 ± 0.0004 Å
α	79.197 ± 0.0013°
β	87.6582 ± 0.0015°
γ	76.3505 ± 0.0014°
Cell volume	6062.4 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
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
185440 (current)	2016-08-07	cif/ Updating files of 7039227, 7039228, 7039229, 7039230, 7039231, 7039232, 7039233, 7039234, 7039235, 7039236 Original log message: Adding full bibliography for 7039227--7039236.cif.	7039236.cif
182873	2016-05-11	cif/ Adding structures of 7039227, 7039228, 7039229, 7039230, 7039231, 7039232, 7039233, 7039234, 7039235, 7039236 via cif-deposit CGI script.	7039236.cif