Crystallography Open Database

Information card for entry 4068833

Preview

Coordinates	4068833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 N Zr
Calculated formula	C23 H29 N Zr
SMILES	[Zr]123456789(c%10c(cccc%10[C@H](C1)CC)CN(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]9[cH]8[cH]7[cH]61
Title of publication	Reactions of C,N-chelated Tin(II) and Lead(II) Compounds with Zirconocene Dichloride Derivatives
Authors of publication	Bareš, Josef; Richard, Philippe; Meunier, Philippe; Pirio, Nadine; Padělková, Zdeňka; Černošek, Zdeněk; Císařová, Ivana; Růžička, Aleš
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	10
Pages of publication	3105
a	8.36 ± 0.0002 Å
b	14.514 ± 0.0003 Å
c	15.551 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1886.91 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.065
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
178578 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/88.	4068833.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068833.cif
40002	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068832, 4068833 via cif-deposit CGI script.	4068833.cif