Crystallography Open Database

Information card for entry 4083010

Preview

Coordinates	4083010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H69 Cl F6 N4 P3 Rh
Calculated formula	C58 H69 Cl F6 N4 P3 Rh
Title of publication	Rh‒FHF and Rh‒F Complexes Containing SmallN-Alkyl Substituted Six-Membered Ring N-Heterocyclic Carbenes
Authors of publication	Bramananthan, Nicola; Carmona, María; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	8
Pages of publication	1986
a	13.45 ± 0.0002 Å
b	15.592 ± 0.0002 Å
c	16.023 ± 0.0003 Å
α	109.047 ± 0.001°
β	109.266 ± 0.001°
γ	102.719 ± 0.001°
Cell volume	2788.66 ± 0.09 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	0.1033
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.1973
Weighted residual factors for all reflections included in the refinement	0.2081
Goodness-of-fit parameter for all reflections included in the refinement	1.224
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
178719 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/30.	4083010.cif
112793	2014-05-04	cif/ Updating files of 4083004, 4083005, 4083006, 4083007, 4083008, 4083009, 4083010 Original log message: Adding full bibliography for 4083004--4083010.cif.	4083010.cif
109369	2014-04-11	cif/ Adding structures of 4083004, 4083005, 4083006, 4083007, 4083008, 4083009, 4083010 via cif-deposit CGI script.	4083010.cif