Crystallography Open Database

Information card for entry 7004397

Preview

Coordinates	7004397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H68 N3 Rh
Calculated formula	C45 H68 N3 Rh
SMILES	[Rh]1234567(C8(C(C)C)[CH]2=[CH]3[CH]4=[C]1(C(C)C)C8=NC(=N\c1c(cccc1C(C)C)C(C)C)/N(C1CCCCC1)C1CCCCC1)[CH]1=[CH]6CC[CH]7=[CH]5CC1
Title of publication	Flexible coordination of bulky amidinates and guanidinates towards rhodium(i): conversion of kinetic to thermodymanic isomers
Authors of publication	Jones, Cameron; Mills, David P.; Stasch, Andreas
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	35
Pages of publication	4799 - 4804
a	11.3725 ± 0.0005 Å
b	17.6352 ± 0.0007 Å
c	20.1756 ± 0.0006 Å
α	90°
β	94.264 ± 0.001°
γ	90°
Cell volume	4035.1 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179747 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/43.	7004397.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004397.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004397.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7004397.cif