Crystallography Open Database

Information card for entry 4347087

Preview

Coordinates	4347087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H31 F6 N7 O6 Pt2 S2
Calculated formula	C40 H31 F6 N7 O6 Pt2 S2
Title of publication	Solid-State and Solution Metallophilic Aggregation of a Cationic [Pt(NCN)L](+) Cyclometalated Complex.
Authors of publication	Sivchik, Vasily V.; Grachova, Elena V.; Melnikov, Alexei S.; Smirnov, Sergey N.; Ivanov, Alexander Yu; Hirva, Pipsa; Tunik, Sergey P.; Koshevoy, Igor O.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	7
Pages of publication	3351 - 3363
a	31.635 ± 0.005 Å
b	15.744 ± 0.002 Å
c	19.281 ± 0.004 Å
α	90°
β	122.309 ± 0.012°
γ	90°
Cell volume	8116 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
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	0.0609
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.0662
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
232160 (current)	2019-11-23	cif/ Adding structures of 4347079, 4347080, 4347081, 4347082, 4347083, 4347084, 4347085, 4347086, 4347087, 4347088 via cif-deposit CGI script.	4347087.cif