Crystallography Open Database

Information card for entry 4514974

Preview

Coordinates	4514974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H19 I N2 O Pt
Calculated formula	C15 H19 I N2 O Pt
SMILES	[Pt]1(I)([n]2ccccc2C=[N]1c1ccc(O)cc1)(C)(C)C
Title of publication	Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.
Authors of publication	Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.
Journal of publication	ACS omega
Year of publication	2019
Journal volume	4
Journal issue	1
Pages of publication	257 - 268
a	7.754 ± 0.004 Å
b	7.966 ± 0.006 Å
c	13.423 ± 0.011 Å
α	99.03 ± 0.04°
β	101.68 ± 0.02°
γ	92.59 ± 0.05°
Cell volume	799.3 ± 1 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
220132 (current)	2019-10-28	cif/ Adding structures of 4514966, 4514967, 4514968, 4514969, 4514970, 4514971, 4514972, 4514973, 4514974, 4514975 via cif-deposit CGI script.	4514974.cif