Crystallography Open Database

Information card for entry 4076370

Preview

Coordinates	4076370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H42 Cl P3 Sn
Calculated formula	C54 H42 Cl P3 Sn
SMILES	[Sn](Cl)(c1ccccc1P(c1ccccc1)c1ccccc1)(c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
Title of publication	Synthesis and Reactivity of Rhodium Complexes Bearing [E(o-C6H4PPh2)3]-Type Tetradentate Ligands (E = Si, Ge, and Sn)
Authors of publication	Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	6
Pages of publication	2212
a	12.801 ± 0.0006 Å
b	24.437 ± 0.0012 Å
c	14.0419 ± 0.0007 Å
α	90°
β	90.936 ± 0.003°
γ	90°
Cell volume	4392 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.0579
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1251
Goodness-of-fit parameter for all reflections included in the refinement	1.194
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178652 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/63.	4076370.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076370.cif
51938	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076370, 4076371, 4076372, 4076373, 4076374 via cif-deposit CGI script.	4076370.cif