Crystallography Open Database

Information card for entry 7003428

Preview

Coordinates	7003428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H69 N3 P Rh Si4 Sn
Calculated formula	C40 H69 N3 P Rh Si4 Sn
SMILES	[c]123[cH]4[cH]5[cH]6[cH]7[cH]1[Rh]34567([P](C(C)C)(C(C)C)C(C)C)[Sn]13N([C@@H]2C)[Si](C)(C)[Si](C)([Si](C)(C)N1[C@H](C)c1ccccc1)[Si](C)(C)N3[C@H](C)c1ccccc1
Title of publication	A chiral stannate as an “ansa” π-arene ligand in rhodium chemistry
Authors of publication	Kilian, Michaela; Wadepohl, Hubert; Gade, Lutz H.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	5
Pages of publication	582 - 584
a	22.7301 ± 0.0014 Å
b	10.6279 ± 0.0006 Å
c	21.0608 ± 0.0012 Å
α	90°
β	115.504 ± 0.001°
γ	90°
Cell volume	4592 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.0522
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation probe	x-ray
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
179738 (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 7/00/34.	7003428.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003428.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003428.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.	7003428.cif