Crystallography Open Database

Information card for entry 7058335

Preview

Coordinates	7058335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H34 N2 O2 Pt2 S2
Calculated formula	C32 H34 N2 O2 Pt2 S2
Title of publication	Arene C‒H bond activation and methane formation by a methylplatinum(ii) complex: experimental and theoretical elucidation of the mechanism
Authors of publication	Nahaei, Asma; Nabavizadeh, S. Masoud; Hosseini, Fatemeh Niroomand; Hoseini, S. Jafar; Abu-Omar, Mahdi M.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	21
Pages of publication	8005
a	16.974 ± 0.003 Å
b	9.8965 ± 0.0016 Å
c	17.603 ± 0.003 Å
α	90°
β	98.327 ± 0.008°
γ	90°
Cell volume	2925.8 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0461
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0427
Weighted residual factors for all reflections included in the refinement	0.0455
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
224929 (current)	2019-11-08	cif/ Updating files of 7058335 Original log message: Adding full bibliography for 7058335.cif.	7058335.cif
214813	2019-04-27	cif/ Adding structures of 7058335 via cif-deposit CGI script.	7058335.cif