Crystallography Open Database

Information card for entry 7106891

Preview

Coordinates	7106891.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(PNP)Rh(ZrCl3)(Cl)
Formula	C32 H40 Cl4 D6 N P2 Rh Zr
Calculated formula	C32 H40 Cl4 N P2 Rh Zr
SMILES	[Rh]123([Zr](Cl)(Cl)(Cl)[N]3(c3c([P]1(C(C)C)C(C)C)cc(C)cc3)c1c([P]2(C(C)C)C(C)C)cc(cc1)C)Cl.c1ccccc1
Title of publication	Early-Late Heterobimetallic Rh-Ti and Rh-Zr Complexes via Addition of Early Metal Chlorides to Mono- and Divalent Rhodium
Authors of publication	and; Dan A. Smith; Oleg V. Ozerov
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	10779
a	17.021 ± 0.002 Å
b	12.9851 ± 0.0015 Å
c	19.9047 ± 0.0016 Å
α	90°
β	123.275 ± 0.007°
γ	90°
Cell volume	3678 ± 0.7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
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	0.0324
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
180172 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/68.	7106891.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7106891.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7106891.cif
27334	2011-09-30	../uploads/cif-deposit/cod/cif Adding structures of 7106890, 7106891, 7106892 via cif-deposit CGI script.	7106891.cif