Crystallography Open Database

Information card for entry 4514969

Preview

Coordinates	4514969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H21 I N2 O Pt
Calculated formula	C15 H21 I N2 O Pt
SMILES	[Pt]1([n]2ccccc2C[NH]1c1cc(O)ccc1)(I)(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	12.6298 ± 0.0011 Å
b	8.035 ± 0.0007 Å
c	16.7136 ± 0.0014 Å
α	90°
β	102.705 ± 0.004°
γ	90°
Cell volume	1654.6 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.178
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.	4514969.cif