Crystallography Open Database

Information card for entry 7004396

Preview

Coordinates	7004396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H60 N3 Rh
Calculated formula	C39 H60 N3 Rh
SMILES	[Rh]1234567([C]8(=[CH]1[CH]2=[CH]3C4(C8=NC(=Nc1c(cccc1C(C)C)C(C)C)N(C(C)C)C(C)C)C(C)C)C(C)C)[CH]1=[CH]5CC[CH]6=[CH]7CC1
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	10.163 ± 0.002 Å
b	10.502 ± 0.002 Å
c	19.025 ± 0.004 Å
α	102.33 ± 0.03°
β	98.74 ± 0.03°
γ	108.69 ± 0.03°
Cell volume	1825.1 ± 0.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	7004396.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004396.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004396.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.	7004396.cif