Crystallography Open Database

Information card for entry 1518837

Preview

Coordinates	1518837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H10 F6 N2 Pt
Calculated formula	C13 H10 F6 N2 Pt
SMILES	[Pt]1([n]2ccccc2)([n]2ccccc2)C(F)(F)C(F)(F)C1(F)F
Title of publication	Stepwise Conversion of a Platinum Dimethyl Complex to a Perfluorometallacyclobutane Derivative
Authors of publication	Xu, Long; Solowey, Douglas P.; Vicic, David A.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	14
Pages of publication	3474
a	17.6565 ± 0.0019 Å
b	8.8261 ± 0.0009 Å
c	10.6223 ± 0.0011 Å
α	90°
β	121.743 ± 0.002°
γ	90°
Cell volume	1407.7 ± 0.3 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.1623
Weighted residual factors for all reflections included in the refinement	0.1691
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518837.cif
154763	2015-09-06	cif/ Updating files of 1518835, 1518836, 1518837, 1518838, 1518839 Original log message: Adding full bibliography for 1518835--1518839.cif.	1518837.cif
133874	2015-03-13	cif/ Adding structures of 1518835, 1518836, 1518837, 1518838, 1518839 via cif-deposit CGI script.	1518837.cif