Crystallography Open Database

Information card for entry 7039235

Preview

Coordinates	7039235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H64 B F24 N4 Rh
Calculated formula	C62 H64 B F24 N4 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	12.863 ± 0.0002 Å
b	24.3781 ± 0.0005 Å
c	20.3511 ± 0.0004 Å
α	90°
β	90.0784 ± 0.0015°
γ	90°
Cell volume	6381.6 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0635
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.154
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.	7039235.cif
182873	2016-05-11	cif/ Adding structures of 7039227, 7039228, 7039229, 7039230, 7039231, 7039232, 7039233, 7039234, 7039235, 7039236 via cif-deposit CGI script.	7039235.cif