Crystallography Open Database

Information card for entry 4339436

Preview

Coordinates	4339436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H28 Cl2 N4 O4 Pt
Calculated formula	C16 H28 Cl2 N4 O4 Pt
SMILES	C1(C)=[N]([C@]2(C)N(C(C)(C)CO2)O1)[Pt]([N]1=C(C)ON2C(C)(C)CO[C@]12C)(Cl)Cl.C1(C)=[N]([C@@]2(C)N(C(C)(C)CO2)O1)[Pt]([N]1=C(C)ON2C(C)(C)CO[C@@]12C)(Cl)Cl
Title of publication	PtII-mediated 1,3-dipolar cycloaddition of oxazoline N-oxides to nitriles as a key step to dihydrooxazolo-1,2,4-oxadiazoles.
Authors of publication	Makarycheva-Mikhailova, Anastassiya V; Golenetskaya, Julia A.; Bokach, Nadezhda A.; Balova, Irina A.; Haukka, Matti; Kukushkin, Vadim Yu
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	20
Pages of publication	8323 - 8331
a	20.1567 ± 0.0005 Å
b	9.6656 ± 0.0002 Å
c	12.1219 ± 0.0002 Å
α	90°
β	116.455 ± 0.002°
γ	90°
Cell volume	2114.37 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0192
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.0456
Weighted residual factors for all reflections included in the refinement	0.0458
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
179497 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/94.	4339436.cif
117331	2014-06-14	cif/ Adding structures of 4339436, 4339437, 4339438, 4339439 via cif-deposit CGI script.	4339436.cif