Crystallography Open Database

Information card for entry 4345182

Preview

Coordinates	4345182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H17 N2 O4 Pt Re
Calculated formula	C13 H17 N2 O4 Pt Re
SMILES	[Re](O[Pt]1([n]2c(c3[n]1cccc3)cccc2)(C)(C)C)(=O)(=O)=O
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	7.7513 ± 0.0016 Å
b	12.208 ± 0.002 Å
c	17.319 ± 0.004 Å
α	90°
β	91.37 ± 0.03°
γ	90°
Cell volume	1638.4 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0541
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	0.856
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.	4345182.cif
191895	2017-02-08	cif/ Adding structures of 4345181, 4345182 via cif-deposit CGI script.	4345182.cif