Crystallography Open Database

Information card for entry 4345181

Preview

Coordinates	4345181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H17 N2 O3 Pt Re
Calculated formula	C13 H17 N2 O3 Pt Re
SMILES	[Pt]1([Re](=O)(=O)(=O)C)([n]2c(c3[n]1cccc3)cccc2)(C)C
Title of publication	Mechanism of Me-Re Bond Addition to Platinum(II) and Dioxygen Activation by the Resulting Pt-Re Bimetallic Center.
Authors of publication	Pichaandi, Kothanda Rama; Kabalan, Lara; Amini, Hashem; Zhang, Guanghui; Zhu, Hanyu; Kenttämaa, Hilkka I; Fanwick, Phillip E.; Miller, Jeffrey T.; Kais, Sabre; Nabavizadeh, S. Masoud; Rashdi, Mehdi; Abu-Omar, Mahdi M
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	4
Pages of publication	2145 - 2152
a	8.199 ± 0.0006 Å
b	9.5483 ± 0.0007 Å
c	10.2508 ± 0.0007 Å
α	88.628 ± 0.004°
β	70.942 ± 0.004°
γ	85.674 ± 0.004°
Cell volume	756.35 ± 0.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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	0.0525
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
193427 (current)	2017-03-04	cif/ Updating files of 4345181, 4345182 Original log message: Adding full bibliography for 4345181--4345182.cif.	4345181.cif
191895	2017-02-08	cif/ Adding structures of 4345181, 4345182 via cif-deposit CGI script.	4345181.cif