Crystallography Open Database

Information card for entry 4346084

Preview

Coordinates	4346084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Br Cl5 N4 O Pt
Calculated formula	C22 H18 Br Cl5 N4 O Pt
SMILES	[Pt](Cl)(Cl)([N]#Cc1ccccc1)[NH]=C(ON=C(N)c1ccc(Br)cc1)c1ccccc1.ClC(Cl)Cl
Title of publication	Bifunctional reactivity of amidoximes observed upon nucleophilic addition to metal-activated nitriles.
Authors of publication	Bolotin, Dmitrii S.; Demakova, Marina Ya; Novikov, Alexander S.; Avdontceva, Margarita S.; Kuznetsov, Maxim L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	8
Pages of publication	4039 - 4046
a	9.99961 ± 0.00017 Å
b	11.26583 ± 0.00016 Å
c	23.3589 ± 0.0004 Å
α	90°
β	92.9538 ± 0.0015°
γ	90°
Cell volume	2627.98 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
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	0.0708
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1693
Weighted residual factors for all reflections included in the refinement	0.1716
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
231609 (current)	2019-11-22	cif/ Adding structures of 4346082, 4346083, 4346084 via cif-deposit CGI script.	4346084.cif